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8J4G
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BU of 8j4g by Molmil
Crystal structure of 11JD mutant-I62N
分子名称: Beta-2-microglobulin, MHC class I antigen, peptide of AIV
著者Tang, Z, Zhang, N.
登録日2023-04-19
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of duck MHC 11JD mutant-I62N
To Be Published
1S2H
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BU of 1s2h by Molmil
The Mad2 spindle checkpoint protein possesses two distinct natively folded states
分子名称: Mitotic spindle assembly checkpoint protein MAD2A
著者Luo, X, Tang, Z, Xia, G, Wassmann, K, Matsumoto, T, Rizo, J, Yu, H.
登録日2004-01-08
公開日2004-03-30
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献The Mad2 spindle checkpoint protein has two distinct natively folded states.
Nat.Struct.Mol.Biol., 11, 2004
1KLQ
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BU of 1klq by Molmil
The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes upon Binding to Either Mad1 or Cdc20
分子名称: MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A, Mad2-binding peptide
著者Luo, X, Tang, Z, Rizo, J, Yu, H.
登録日2001-12-12
公開日2002-01-25
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献The Mad2 spindle checkpoint protein undergoes similar major conformational changes upon binding to either Mad1 or Cdc20.
Mol.Cell, 9, 2002
4R5Y
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BU of 4r5y by Molmil
The complex structure of Braf V600E kinase domain with a novel Braf inhibitor
分子名称: 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf
著者Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M.
登録日2014-08-22
公開日2016-02-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
8T5K
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BU of 8t5k by Molmil
Crystal structure of STING CTD in complex with BDW-OH
分子名称: Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid
著者Li, Y, Li, P, Sun, D.
登録日2023-06-13
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
8T5L
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BU of 8t5l by Molmil
Crystal structure of STING CTD in complex with 2'3'-cGAMP
分子名称: Stimulator of interferon genes protein, cGAMP
著者Li, Y, Li, P, Sun, D.
登録日2023-06-13
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
分子名称: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
著者Li, S, Yang, A.
登録日2022-12-27
公開日2023-10-25
最終更新日2024-01-03
実験手法SOLUTION NMR
主引用文献Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
6SMB
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BU of 6smb by Molmil
Human jak1 kinase domain in complex with inhibitor
分子名称: 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
著者Read, J.A, Steuber, H.
登録日2019-08-21
公開日2020-04-29
最終更新日2020-05-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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
分子名称: 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
著者Read, J.A, Steuber, H.
登録日2019-08-21
公開日2020-04-29
最終更新日2020-05-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
5ZBZ
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BU of 5zbz by Molmil
Crystal structure of the DEAD domain of Human eIF4A with sanguinarine
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION
著者Ding, Y, Ding, L.
登録日2018-02-14
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.30860257 Å)
主引用文献Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling.
Cell Chem Biol, 26, 2019
4JOL
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BU of 4jol by Molmil
Complex structure of AML1-ETO NHR2 domain with HEB fragment
分子名称: Protein CBFA2T1, Transcription factor 12
著者Wang, Z, Patel, D.J.
登録日2013-03-18
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献A stable transcription factor complex nucleated by oligomeric AML1-ETO controls leukaemogenesis.
Nature, 500, 2013
4DZO
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BU of 4dzo by Molmil
Structure of Human Mad1 C-terminal Domain Reveals Its Involvement in Kinetochore Targeting
分子名称: Mitotic spindle assembly checkpoint protein MAD1
著者Luo, X, Sun, H, Tomchick, D.R.
登録日2012-03-01
公開日2012-04-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure of human Mad1 C-terminal domain reveals its involvement in kinetochore targeting.
Proc.Natl.Acad.Sci.USA, 109, 2012
5HJB
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BU of 5hjb by Molmil
AF9 YEATS in complex with histone H3 Crotonylation at K9
分子名称: Protein AF-9, peptide of Histone H3.1
著者Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
登録日2016-01-12
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain
Mol.Cell, 62, 2016
5HJD
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BU of 5hjd by Molmil
AF9 YEATS in complex with histone H3 Crotonylation at K18
分子名称: COPPER (II) ION, Protein AF-9, SULFATE ION, ...
著者Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
登録日2016-01-13
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain.
Mol.Cell, 62, 2016
5HJC
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BU of 5hjc by Molmil
BRD3 second bromodomain in complex with histone H3 acetylation at K18
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, CHLORIDE ION, ...
著者Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T.
登録日2016-01-13
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain
Mol.Cell, 62, 2016
2QYF
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BU of 2qyf by Molmil
Crystal structure of the Mad2/p31(comet)/Mad2-binding peptide ternary complex
分子名称: MAD2L1-binding protein, Mitotic spindle assembly checkpoint protein MAD2A, peptide
著者Tomchick, D.R, Luo, X.
登録日2007-08-14
公開日2008-01-29
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献p31comet blocks Mad2 activation through structural mimicry.
Cell(Cambridge,Mass.), 131, 2007
7WHZ
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BU of 7whz by Molmil
SARS-CoV-2 spike protein in complex with three human neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
著者Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
登録日2022-01-01
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
7WI0
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BU of 7wi0 by Molmil
SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
著者Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
登録日2022-01-01
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
分子名称: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
著者Zhou, X, Hong, Y.
登録日2019-01-15
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
6AEG
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BU of 6aeg by Molmil
Crystal structure of xCas9 in complex with sgRNA and target DNA (GAT PAM)
分子名称: DNA (25-MER), DNA (5'-D(*AP*AP*AP*GP*AP*TP*TP*AP*TP*TP*G)-3'), DNA nuclease, ...
著者Guo, M, Ren, K, Zhu, Y, Huang, Z.
登録日2018-08-04
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Structural insights into a high fidelity variant of SpCas9.
Cell Res., 29, 2019
6AEB
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BU of 6aeb by Molmil
Crystal structure of xCas9 in complex with sgRNA and target DNA (AAG PAM)
分子名称: DNA (25-MER), DNA (5'-D(*AP*AP*AP*AP*AP*GP*TP*AP*TP*TP*G)-3'), DNA Nuclease, ...
著者Guo, M, Ren, K, Zhu, Y, Huang, Z.
登録日2018-08-04
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Structural insights into a high fidelity variant of SpCas9.
Cell Res., 29, 2019
6LAT
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BU of 6lat by Molmil
The cryo-EM structure of HEV VLP
分子名称: Protein ORF2
著者Zheng, Q, He, M, Li, S.
登録日2019-11-13
公開日2019-12-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
6LB0
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BU of 6lb0 by Molmil
The cryo-EM structure of HEV VLP in complex with Fab 8C11
分子名称: Protein ORF2
著者Zheng, Q, He, M, Li, S.
登録日2019-11-13
公開日2019-12-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
7XP7
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BU of 7xp7 by Molmil
Crystal Structure of the Flavoprotein ColB1 Catalyzing Assembly Line-Tethered Cysteine Dehydrogenation
分子名称: Cyclohexanecarboxyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
著者Ma, X.Y, Tang, Z.J, Liu, W, Ma, M.
登録日2022-05-03
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Mechanistic Insights into ColB1, a Flavoprotein Functioning in-trans in the 2,2'-Bipyridine Assembly Line for Cysteine Dehydrogenation.
Acs Chem.Biol., 18, 2023
7X80
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The crystal structure of PloI4-C16M/D46A/I137V
分子名称: GLYCEROL, PloI4
著者Li, M, Pan, L.F.
登録日2022-03-10
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023

 

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