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8Y8A
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BU of 8y8a by Molmil
Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 3TMPRSS2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T.
Deposit date:2024-02-06
Release date:2024-07-17
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
8Y7Y
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BU of 8y7y by Molmil
Local structure of HCoV-HKU1A spike in complex with TMPRSS2 and glycan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, H.F, Zhang, X, Lu, Y, Liu, X, Sun, L, Yang, H.T.
Deposit date:2024-02-05
Release date:2024-07-17
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
8Y8J
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BU of 8y8j by Molmil
Local structure of HCoV-HKU1C spike in complex with glycan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
Deposit date:2024-02-06
Release date:2024-07-17
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
8Y8F
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BU of 8y8f by Molmil
Structure of HCoV-HKU1C spike in the glycan-activated-closed conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
Deposit date:2024-02-06
Release date:2024-07-17
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
4K79
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BU of 4k79 by Molmil
Recognition of the Thomsen-Friedenreich Antigen by a Lamprey Variable Lymphocyte Receptor
Descriptor: Variable lymphocyte receptor, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
Deposit date:2013-04-16
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
4I9Z
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BU of 4i9z by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T, Xu, Y.
Deposit date:2012-12-05
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
5TQR
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BU of 5tqr by Molmil
ctPRC2 in an autoinhibited conformation bound to S-adenosylmethionine
Descriptor: Histone-lysine N-methyltransferase EZH2, Polycomb protein SUZ12, Polycomb Protein EED, ...
Authors:Bratkowski, M.A, Liu, X.
Deposit date:2016-10-24
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.571 Å)
Cite:Polycomb repressive complex 2 in an autoinhibited state.
J. Biol. Chem., 292, 2017
5VK3
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BU of 5vk3 by Molmil
Apo ctPRC2 with E840A and K852D mutations in Ezh2
Descriptor: Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12, Polycomb Protein EED, ZINC ION
Authors:Bratkowski, M.A, Liu, X.
Deposit date:2017-04-20
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:Polycomb repressive complex 2 in an autoinhibited state.
J. Biol. Chem., 292, 2017
5WAK
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BU of 5wak by Molmil
Crystal Structure of a Suz12-Rbbp4 Binary Complex
Descriptor: Histone-binding protein RBBP4, Polycomb protein SUZ12, ZINC ION
Authors:Chen, S, Jiao, L, Liu, X.
Deposit date:2017-06-26
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unique Structural Platforms of Suz12 Dictate Distinct Classes of PRC2 for Chromatin Binding.
Mol. Cell, 69, 2018
8JKE
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BU of 8jke by Molmil
AfsR(T337A) transcription activation complex
Descriptor: DNA(65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Wang, Y, Zheng, J.
Deposit date:2023-06-01
Release date:2024-02-14
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural and functional characterization of AfsR, an SARP family transcriptional activator of antibiotic biosynthesis in Streptomyces.
Plos Biol., 22, 2024
6LLG
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BU of 6llg by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1
Descriptor: BENZAMIDINE, SULFATE ION, UDP-glycosyltransferase 708C1
Authors:Wang, X, Liu, M.
Deposit date:2019-12-23
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
6LLZ
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BU of 6llz by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1 complexed with UDP-glucose
Descriptor: UDP-glycosyltransferase 708C1, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Wang, X, Liu, M.
Deposit date:2019-12-24
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
6LLW
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BU of 6llw by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1 complexed with UDP
Descriptor: UDP-glycosyltransferase 708C1, URIDINE-5'-DIPHOSPHATE
Authors:Wang, X, Liu, M.
Deposit date:2019-12-23
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
2ZGJ
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BU of 2zgj by Molmil
Crystal Structure of D86N-GzmM Complexed with Its Optimal Synthesized Substrate
Descriptor: Granzyme M, SSGKVPLS, SULFATE ION
Authors:Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S.
Deposit date:2008-01-22
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
2ZGH
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BU of 2zgh by Molmil
Crystal Structure of active granzyme M bound to its product
Descriptor: Granzyme M, SSGKVPL, SULFATE ION
Authors:Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S.
Deposit date:2008-01-22
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
2ZGC
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BU of 2zgc by Molmil
Crystal Structure of Active Human Granzyme M
Descriptor: Granzyme M, SULFATE ION
Authors:Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S.
Deposit date:2008-01-21
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
5UBT
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BU of 5ubt by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE
Descriptor: 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Sack, J.S.
Deposit date:2016-12-21
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
2BYG
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BU of 2byg by Molmil
2nd PDZ Domain of Discs Large Homologue 2
Descriptor: CHANNEL ASSOCIATED PROTEIN OF SYNAPSE-110
Authors:Elkins, J.M, Schoch, G.A, Smee, C.E.A, Berridge, G, Salah, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-08-01
Release date:2005-08-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
5UF7
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BU of 5uf7 by Molmil
CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN
Descriptor: Protein unc-13 homolog A
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2017-01-03
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
6BBU
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BU of 6bbu by Molmil
Crystal Structure of JAK1 in complex with compound 25
Descriptor: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1
Authors:Han, S.
Deposit date:2017-10-19
Release date:2018-01-17
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6BGA
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BU of 6bga by Molmil
2B4 I-Ek TCR-MHC complex with affinity-enhancing Velcro peptide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 peptide,MHC I-Ek B chain, ...
Authors:Gee, M.H, Sibener, L.V, Birnbaum, M.E, Jude, K.M, Garcia, K.C.
Deposit date:2017-10-27
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Stress-testing the relationship between T cell receptor/peptide-MHC affinity and cross-reactivity using peptide velcro.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BBV
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BU of 6bbv by Molmil
Crystal Structure of JAK2 in complex with compound 25
Descriptor: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2
Authors:Han, S.
Deposit date:2017-10-19
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
7T7A
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BU of 7t7a by Molmil
Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein
Descriptor: Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION
Authors:Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J.
Deposit date:2021-12-14
Release date:2022-05-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024

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