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8F40
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BU of 8f40 by Molmil
Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands
Descriptor: DNA (5'-D(*CP*GP*CP*TP*T)-3'), DNA (5'-D(P*AP*AP*GP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*CP*GP*C)-3')
Authors:Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C.
Deposit date:2022-11-10
Release date:2023-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions.
J.Am.Chem.Soc., 145, 2023
6U3J
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BU of 6u3j by Molmil
Structure of the 2-oxoadipate dehydrogenase DHTKD1
Descriptor: 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, MAGNESIUM ION, ...
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2019-08-21
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibition and Crystal Structure of the Human DHTKD1-Thiamin Diphosphate Complex.
Acs Chem.Biol., 15, 2020
7Q3A
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BU of 7q3a by Molmil
Crystal structure of MAB_4324 a tandem repeat GNAT from Mycobacterium abscessus
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Blaise, M, Alsarraf, M.A.B.
Deposit date:2021-10-27
Release date:2022-05-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical, structural, and functional studies reveal that MAB_4324c from Mycobacterium abscessus is an active tandem repeat N-acetyltransferase.
Febs Lett., 596, 2022
5ZWM
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BU of 5zwm by Molmil
Cryo-EM structure of the yeast pre-B complex at an average resolution of 3.4~4.6 angstrom (tri-snRNP and U2 snRNP Part)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Cold sensitive U2 snRNA suppressor 1, ...
Authors:Bai, R, Wan, R, Yan, C, Lei, J, Shi, Y.
Deposit date:2018-05-16
Release date:2018-08-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the fully assembledSaccharomyces cerevisiaespliceosome before activation
Science, 360, 2018
5M5B
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BU of 5m5b by Molmil
Crystal structure of Zika virus NS5 methyltransferase
Descriptor: CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ...
Authors:Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J.
Deposit date:2016-10-21
Release date:2016-12-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives.
J. Virol., 91, 2017
8PB3
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BU of 8pb3 by Molmil
PsiM in complex with SAH and norbaeocystin, monoclinic crystal form
Descriptor: CHLORIDE ION, MAGNESIUM ION, Norbaeocystin, ...
Authors:Werten, S, Hudspeth, J, Rupp, B.
Deposit date:2023-06-08
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
6XF9
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BU of 6xf9 by Molmil
Crystal structure of KSHV ORF68
Descriptor: Packaging protein UL32, ZINC ION
Authors:Didychuk, A.L, Gates, S.N, Martin, A, Glaunsinger, B.
Deposit date:2020-06-15
Release date:2021-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A pentameric protein ring with novel architecture is required for herpesviral packaging.
Elife, 10, 2021
8ELH
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BU of 8elh by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANQF from SARS-CoV-2 virus
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Murdolo, L.D, Gras, S.
Deposit date:2022-09-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
8ELG
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BU of 8elg by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 virus
Descriptor: ACETATE ION, Beta-2-microglobulin, NQK-OC43 peptide, ...
Authors:Murdolo, L.D, Gras, S.
Deposit date:2022-09-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
6P3W
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BU of 6p3w by Molmil
Crystal structure of the Cyclin A-CDK2-ORC1 complex
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, ORC1 Peptide, ...
Authors:Wang, B, Song, J.
Deposit date:2019-05-24
Release date:2019-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural basis for the ORC1-Cyclin A association.
Protein Sci., 28, 2019
8P43
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BU of 8p43 by Molmil
Structure of the MHC class Ib molecule Qa-1b in complex with Q001 peptide
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Qa-1b, ...
Authors:Sala, B.M, Achour, A.
Deposit date:2023-05-19
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:MHC-E is a convergent checkpoint ligand for LILRB1 on macrophages and during inflammation for NKG2A on lymphocytes
To Be Published
5M8M
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BU of 5m8m by Molmil
Crystal structure of human tyrosinase related protein 1 in complex with kojic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W.
Deposit date:2016-10-29
Release date:2017-07-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
6POP
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BU of 6pop by Molmil
Crystal structure of DauA in complex with NADP+
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, MAGNESIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PGS
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BU of 6pgs by Molmil
Crystal structure of bovine opsin with geraniol bound
Descriptor: G alpha CT2 peptide, Geraniol, PALMITIC ACID, ...
Authors:Eger, B.T, Morizumi, T, Ernst, O.P.
Deposit date:2019-06-24
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:Odorant-binding site in visual opsin
To Be Published
8EIF
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BU of 8eif by Molmil
Crystal structure of unmodified Pseudomonas aeruginosa protein PA0709
Descriptor: Antibiotic biosynthesis monooxygenase, CACODYLIC ACID, GLYCEROL, ...
Authors:Cuthbert, B.J, Goulding, C.W.
Deposit date:2022-09-14
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of PA0709
To Be Published
7PZP
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BU of 7pzp by Molmil
Mitochondrial DNA dependent RNA polymerase homodimer.
Descriptor: DNA-directed RNA polymerase, mitochondrial
Authors:Das, H, Hallberg, B.M.
Deposit date:2021-10-13
Release date:2022-09-28
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Non-coding 7S RNA inhibits transcription via mitochondrial RNA polymerase dimerization.
Cell, 185, 2022
6XR2
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BU of 6xr2 by Molmil
Computationally designed right-handed alpha/alpha homotrimeric toroid with 3 repeats per subunit
Descriptor: dTor_3x57R
Authors:Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
Deposit date:2020-07-10
Release date:2021-07-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
7NP1
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BU of 7np1 by Molmil
Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-360
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin light chain, Immunoglobulin gamma-1 heavy chain, ...
Authors:Hall, G, Cowan, R, Carr, M.
Deposit date:2021-02-26
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses.
Front Immunol, 12, 2021
8T2F
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BU of 8t2f by Molmil
BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody N289
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N289 Heavy Chain, ...
Authors:Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B.
Deposit date:2023-06-05
Release date:2024-06-12
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Priming antibody responses to the fusion peptide in rhesus macaques.
Npj Vaccines, 9, 2024
8T2E
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BU of 8t2e by Molmil
BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody FP3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FP3 Heavy Chain, ...
Authors:Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B.
Deposit date:2023-06-05
Release date:2024-06-12
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Priming antibody responses to the fusion peptide in rhesus macaques.
Npj Vaccines, 9, 2024
5MGR
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BU of 5mgr by Molmil
Human receptor NKR-P1 in glycosylated form, extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor subfamily B member 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Skalova, T, Blaha, J, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
Deposit date:2016-11-22
Release date:2018-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
6XQR
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BU of 6xqr by Molmil
OXA-48 bound by Compound 2.2
Descriptor: Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
Deposit date:2020-07-10
Release date:2021-12-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
8EHN
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BU of 8ehn by Molmil
PRRSV-1 PLP2 domain
Descriptor: ACETATE ION, Papain-like protease 2, ZINC ION
Authors:Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2022-09-14
Release date:2023-12-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis.
Plos Pathog., 19, 2023
5MRL
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BU of 5mrl by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with N(Furan2ylmethyl)Nmethylprop2yn1amine (F2MPA)
Descriptor: (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Binda, C, De Deurwaerdere, P, Corne, R, Leone, C, Valeri, A, Valoti, M, Ramsay, R.R, Fall, Y, Marco-Contelles, J.
Deposit date:2016-12-23
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine.
ACS Chem Neurosci, 8, 2017
7B3E
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BU of 7b3e by Molmil
Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
Descriptor: 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
Deposit date:2020-11-30
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021

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PDB entries from 2024-08-14

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