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6CBY
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BU of 6cby by Molmil
Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975
Descriptor: N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
Authors:ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-02-05
Release date:2018-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
7EKG
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BU of 7ekg by Molmil
Structure of SARS-CoV-2 Beta variant spike receptor-binding domain complexed with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKF
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BU of 7ekf by Molmil
Structure of SARS-CoV-2 Alpha variant spike receptor-binding domain complexed with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKC
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BU of 7ekc by Molmil
Structure of SARS-CoV-2 Gamma variant spike receptor-binding domain complexed with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
4NJ5
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BU of 4nj5 by Molmil
Crystal structure of SUVH9
Descriptor: Probable histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH9, ZINC ION
Authors:Du, J, Patel, D.J.
Deposit date:2013-11-08
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SRA- and SET-domain-containing proteins link RNA polymerase V occupancy to DNA methylation.
Nature, 507, 2014
8BZN
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BU of 8bzn by Molmil
SARS-CoV-2 non-structural protein 10 (nsp10) variant T102I
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ...
Authors:Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S.
Deposit date:2022-12-15
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16.
Elife, 12, 2023
9J6Y
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BU of 9j6y by Molmil
Lactobacillus salivarius ROOL RNA hexamer
Descriptor: MAGNESIUM ION, RNA (550-MER)
Authors:Wang, L, Xie, J.H, Shang, S.T, Su, Z.M.
Deposit date:2024-08-17
Release date:2025-03-19
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Cryo-EM reveals mechanisms of natural RNA multivalency.
Science, 388, 2025
7EKE
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BU of 7eke by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain F486L mutation complexed with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKH
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BU of 7ekh by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain Y453F mutation complexed with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
6SMB
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BU of 6smb by Molmil
Human jak1 kinase domain in complex with inhibitor
Descriptor: Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
Authors:Read, J.A, Steuber, H.
Deposit date:2019-08-21
Release date:2020-04-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
6SM8
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BU of 6sm8 by Molmil
Human jak1 kinase domain in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1
Authors:Read, J.A, Steuber, H.
Deposit date:2019-08-21
Release date:2020-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
6P0R
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BU of 6p0r by Molmil
Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
Descriptor: (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
to be published
5I3Z
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BU of 5i3z by Molmil
Erwinia chrysanthemi L-asparaginase E63Q mutation + Aspartic acid
Descriptor: ASPARTIC ACID, L-asparaginase
Authors:Nguyen, H.A, Lavie, A.
Deposit date:2016-02-11
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and Characterization of Erwinia Chrysanthemi l-Asparaginase Variants with Diminished l-Glutaminase Activity.
J.Biol.Chem., 291, 2016
8XSJ
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BU of 8xsj by Molmil
SARS-CoV-2 Omicron BA.4 RBD + IMCAS-316 + ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J.
Deposit date:2024-01-09
Release date:2024-07-17
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
8XSF
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BU of 8xsf by Molmil
SARS-CoV-2 RBD + IMCAS-364 + hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, IMCAS-364 H chain, ...
Authors:Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J.
Deposit date:2024-01-09
Release date:2024-07-17
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
3BIS
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BU of 3bis by Molmil
Crystal Structure of the PD-L1
Descriptor: Programmed cell death 1 ligand 1
Authors:Lin, D.Y, Tanaka, Y, Iwasaki, M, Gittis, A.G, Su, H.P, Mikami, B, Okazaki, T, Honjo, T, Minato, N, Garboczi, D.N.
Deposit date:2007-11-30
Release date:2008-02-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The PD-1/PD-L1 complex resembles the antigen-binding Fv domains of antibodies and T cell receptors.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BIK
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BU of 3bik by Molmil
Crystal Structure of the PD-1/PD-L1 Complex
Descriptor: GLYCEROL, Programmed cell death 1 ligand 1, Programmed cell death protein 1
Authors:Lin, D.Y, Tanaka, Y, Iwasaki, M, Gittis, A.G, Su, H.P, Mikami, B, Okazaki, T, Honjo, T, Minato, N, Garboczi, D.N.
Deposit date:2007-11-30
Release date:2008-02-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The PD-1/PD-L1 complex resembles the antigen-binding Fv domains of antibodies and T cell receptors.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7OJ0
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BU of 7oj0 by Molmil
Cryo-EM structure of 70S ribosome stalled with TnaC peptide and RF2
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Su, T, Kudva, R, Becker, T, Berninghausen, O, Heijne, G, Cheng, J, Beckmann, R.
Deposit date:2021-05-13
Release date:2021-09-15
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of l-tryptophan-dependent inhibition of release factor 2 by the TnaC arrest peptide.
Nucleic Acids Res., 49, 2021
7OIZ
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BU of 7oiz by Molmil
Cryo-EM structure of 70S ribosome stalled with TnaC peptide
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Su, T, Kudva, R, Becker, T, Berninghausen, O, Heijne, G, Cheng, J, Beckmann, R.
Deposit date:2021-05-13
Release date:2021-09-15
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of l-tryptophan-dependent inhibition of release factor 2 by the TnaC arrest peptide.
Nucleic Acids Res., 49, 2021
5NWY
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BU of 5nwy by Molmil
2.9 A cryo-EM structure of VemP-stalled ribosome-nascent chain complex
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Su, T, Cheng, J, Sohmen, D, Hedman, R, Berninghausen, O, von Heijne, G, Wilson, D.N, Beckmann, R.
Deposit date:2017-05-08
Release date:2017-07-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The force-sensing peptide VemP employs extreme compaction and secondary structure formation to induce ribosomal stalling.
Elife, 6, 2017
5ZLU
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BU of 5zlu by Molmil
Ribosome Structure bound to ABC-F protein.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Su, W.X, Kumar, V, Ero, R, Andrew, S.W.W, Jian, S, Yong-Gui, G.
Deposit date:2018-03-29
Release date:2018-08-01
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Ribosome protection by antibiotic resistance ATP-binding cassette protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5EWF
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BU of 5ewf by Molmil
Ternary complex of human DNA polymerase eta inserting rCTP opposite an 8-Oxodeoxyguanosine Lesion
Descriptor: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Su, Y, Egli, M, Guengerich, F.P.
Deposit date:2015-11-20
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Mechanism of Ribonucleotide Incorporation by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
6OJ0
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BU of 6oj0 by Molmil
Cryo-EM reconstruction of Sulfolobus polyhedral virus 1 (SPV1)
Descriptor: Structural protein VP4, Uncharacterized protein
Authors:Wang, F, Liu, Y, Conway, J.F, Krupovic, M, Prangishvili, D, Egelman, E.H.
Deposit date:2019-04-10
Release date:2019-10-02
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A packing for A-form DNA in an icosahedral virus.
Proc.Natl.Acad.Sci.USA, 116, 2019
8X3Z
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BU of 8x3z by Molmil
ThDP-dependent HKA synthase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CsmA, MAGNESIUM ION, ...
Authors:Yu, J.H, Liu, T.
Deposit date:2023-11-14
Release date:2024-11-20
Last modified:2025-06-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural insights into two thiamine diphosphate-dependent enzymes and their synthetic applications in carbon-carbon linkage reactions.
Nat.Chem., 2025
7DBP
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BU of 7dbp by Molmil
Linker histone defines structure and self-association behaviour of the 177 bp human chromosome
Descriptor: DNA (175-MER), Histone H1.0, Histone H2A type 1-B/E, ...
Authors:Wang, S, Vogirala, K.V, Soman, A, Liu, Z.B.
Deposit date:2020-10-21
Release date:2020-12-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Linker histone defines structure and self-association behaviour of the 177 bp human chromatosome.
Sci Rep, 11, 2021

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