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8FIW
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BU of 8fiw by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221
Descriptor: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
7EBK
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BU of 7ebk by Molmil
Mouse Trim66 PHD-Bromo dual domain complexed with the H3(1-24)K9me3K18ac peptide
Descriptor: H3K9me3K18ac, Tripartite motif-containing protein 66, ZINC ION
Authors:Wang, Z, Jiang, J.
Deposit date:2021-03-09
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A TRIM66/DAX1/Dux axis suppresses the totipotent 2-cell-like state in murine embryonic stem cells.
Cell Stem Cell, 29, 2022
7EBJ
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BU of 7ebj by Molmil
Apo structure of the mouse Trim66 PHD-Bromo dual domain
Descriptor: Tripartite motif-containing protein 66, ZINC ION
Authors:Wang, Z, Jiang, J.
Deposit date:2021-03-09
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A TRIM66/DAX1/Dux axis suppresses the totipotent 2-cell-like state in murine embryonic stem cells.
Cell Stem Cell, 29, 2022
6UIB
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BU of 6uib by Molmil
Crystal structure of IL23 bound to peptide 23-652
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Durbin, J.D, Wang, J, Afshar, S.
Deposit date:2019-09-30
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.
Plos One, 15, 2020
5YMY
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BU of 5ymy by Molmil
The structure of the complex between Rpn13 and K48-diUb
Descriptor: Proteasomal ubiquitin receptor ADRM1, Ubiquitin
Authors:Liu, Z, Dong, X, Gong, Z, Yi, H.W, Liu, K, Yang, J, Zhang, W.P, Tang, C.
Deposit date:2017-10-22
Release date:2019-03-13
Last modified:2019-04-24
Method:SOLUTION NMR
Cite:Structural basis for the recognition of K48-linked Ub chain by proteasomal receptor Rpn13.
Cell Discov, 5, 2019
4Y6K
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BU of 4y6k by Molmil
Complex structure of presenilin homologue PSH bound to an inhibitor
Descriptor: N-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide, Uncharacterized protein PSH
Authors:Dang, S, Wu, S, Wang, J, Shi, Y.
Deposit date:2015-02-13
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.855 Å)
Cite:Cleavage of amyloid precursor protein by an archaeal presenilin homologue PSH
Proc.Natl.Acad.Sci.USA, 112, 2015
6UYA
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BU of 6uya by Molmil
Crystal structure of Compound 19 bound to IRAK4
Descriptor: Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION
Authors:Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S.
Deposit date:2019-11-12
Release date:2019-11-20
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity.
Acs Med.Chem.Lett., 11, 2020
7R5R
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BU of 7r5r by Molmil
Structure of the human CCAN CENP-A alpha-satellite complex
Descriptor: Centromere protein C, DNA (171-MER), Histone H2A type 1-C, ...
Authors:Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D.
Deposit date:2022-02-11
Release date:2022-04-27
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7R5V
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BU of 7r5v by Molmil
Structure of the human CCAN CENP-A alpha-satellite complex
Descriptor: Centromere protein H, Centromere protein I, Centromere protein K, ...
Authors:Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D.
Deposit date:2022-02-11
Release date:2022-04-27
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
2XIX
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BU of 2xix by Molmil
Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen
Descriptor: 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XJ2
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BU of 2xj2 by Molmil
Protein kinase Pim-1 in complex with small molecule inhibitor
Descriptor: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XIY
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BU of 2xiy by Molmil
Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen
Descriptor: 2-HYDROXYMETHYL-BENZOIMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
5HXL
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BU of 5hxl by Molmil
Structure based function annotation of a hypothetical protein MGG_01005 related to the development of rice blast fungus
Descriptor: dynein light chain Tctex-1
Authors:Liu, J, Huang, J, Li, G, Peng, Y.
Deposit date:2016-01-31
Release date:2017-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure based function-annotation of hypothetical protein MGG_01005 from Magnaporthe oryzae reveals it is the dynein light chain orthologue of dynlt1/3.
Sci Rep, 8, 2018
8TOB
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BU of 8tob by Molmil
Acinetobacter GP16 Type IV pilus
Descriptor: Fimbrial protein
Authors:Meng, R, Xing, Z, Zhang, J.
Deposit date:2023-08-03
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
5HYC
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BU of 5hyc by Molmil
Structure based function annotation of a hypothetical protein MGG_01005 related to the development of rice blast fungus
Descriptor: Cytoplasmic dynein 1 intermediate chain 2, Uncharacterized protein
Authors:Liu, J, Li, G, Huang, J, Peng, Y.-l.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure based function-annotation of hypothetical protein MGG_01005 from Magnaporthe oryzae reveals it is the dynein light chain orthologue of dynlt1/3.
Sci Rep, 8, 2018
7SIP
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BU of 7sip by Molmil
Structure of shaker-IR
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, POTASSIUM ION, Potassium voltage-gated channel protein Shaker
Authors:Tan, X, Bae, C, Stix, R, Fernandez, A.I, Huffer, K, Chang, T, Jiang, J, Faraldo-Gomez, J.D, Swartz, K.J.
Deposit date:2021-10-14
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the Shaker Kv channel and mechanism of slow C-type inactivation.
Sci Adv, 8, 2022
7YOJ
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BU of 7yoj by Molmil
Structure of CasPi with guide RNA and target DNA
Descriptor: CasPi, DNA (30-MER), DNA (5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*CP*CP*AP*G)-3'), ...
Authors:Li, C.P, Wang, J, Liu, J.J.
Deposit date:2022-08-01
Release date:2023-02-15
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:The compact Cas pi (Cas12l) 'bracelet' provides a unique structural platform for DNA manipulation.
Cell Res., 33, 2023
3IU3
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BU of 3iu3 by Molmil
Crystal structure of the Fab fragment of therapeutic antibody Basiliximab in complex with IL-2Ra (CD25) ectodomain
Descriptor: Heavy chain of Fab fragment of Basiliximab, Interleukin-2 receptor alpha chain, Light chain of Fab fragment of Basiliximab, ...
Authors:Du, J, Yang, H, Wang, J, Ding, J.
Deposit date:2009-08-29
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the blockage of IL-2 signaling by therapeutic antibody basiliximab
J.Immunol., 184, 2010
4M00
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BU of 4m00 by Molmil
Crystal structure of the ligand binding region of staphylococcal adhesion SraP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Serine-rich adhesin for platelets, ...
Authors:Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z.
Deposit date:2013-08-01
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Plos Pathog., 10, 2014
8TWC
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BU of 8twc by Molmil
Acinetobacter phage AP205 T=3 VLP
Descriptor: Coat protein
Authors:Meng, R, Xing, Z, Zhang, J.
Deposit date:2023-08-20
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
8TVA
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BU of 8tva by Molmil
Outer Mat-T4P complex
Descriptor: Fimbrial protein, Maturation protein
Authors:Meng, R, Xing, Z, Thongchol, J, Zhang, J.
Deposit date:2023-08-17
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (8.55 Å)
Cite:Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
8TV9
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BU of 8tv9 by Molmil
Inner Mat-T4P complex
Descriptor: Fimbrial protein, Maturation protein
Authors:Meng, R, Xing, Z, Thongchol, J, Zhang, J.
Deposit date:2023-08-17
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (8.15 Å)
Cite:Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
8TW2
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BU of 8tw2 by Molmil
Acinetobacter phage AP205 T=4 VLP
Descriptor: Coat protein
Authors:Meng, R, Xing, Z, Zhang, J.
Deposit date:2023-08-19
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
3JSD
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BU of 3jsd by Molmil
Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G.
Deposit date:2009-09-10
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
8H05
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BU of 8h05 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-09-28
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023

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數據於2024-07-10公開中

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