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7K7O
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
8HFK
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Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and halogenated aryl ketone
分子名称: 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
著者Hou, X.D, Yin, D.J, Rao, Y.J.
登録日2022-11-10
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
8HFJ
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Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone
分子名称: 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
著者Hou, X.D, Yin, D.J, Rao, Y.J.
登録日2022-11-10
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
8HML
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BU of 8hml by Molmil
Co-crystal structure of the C terminal DNA binding domain of Saccharopolyspora erythraea GlnR in complex with its conserved promoter DNA in 2.95 Angstrom resolution
分子名称: DNA (5'-D(*AP*CP*GP*TP*AP*AP*CP*AP*TP*CP*GP*CP*GP*GP*TP*AP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*TP*AP*CP*CP*GP*CP*GP*AP*TP*GP*TP*TP*AP*CP*GP*T)-3'), DNA-binding response OmpR family regulator
著者Lin, W, Xu, J.C.
登録日2022-12-04
公開日2023-06-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HC9
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SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (6.03 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HLL
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Crystal structure of p53/BCL2 fusion complex (complex 1)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Wei, H, Guo, M, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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Crystal structure of p53/BCL2 fusion complex(complex3)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wei, H, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLM
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Crystal structure of p53/BCL2 fusion complex (complex 2)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wang, H, Wei, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HC2
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SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (6.21 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
5V1X
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Carbon Sulfoxide lyase, Egt2 Y134F in complex with its substrate
分子名称: (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
著者Irani, S, Zhang, Y.
登録日2017-03-02
公開日2018-03-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
7V2Y
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cryo-EM structure of yeast THO complex with Sub2
分子名称: ATP-dependent RNA helicase SUB2, Protein TEX1, THO complex subunit 2, ...
著者Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M.
登録日2021-08-10
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex.
Sci Bull (Beijing), 66, 2021
7V2W
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BU of 7v2w by Molmil
protomer structure from the dimer of yeast THO complex
分子名称: Protein TEX1, THO complex subunit 2, THO complex subunit HPR1, ...
著者Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M.
登録日2021-08-10
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex.
Sci Bull (Beijing), 66, 2021
5JHM
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BU of 5jhm by Molmil
Crystal structure of Zika virus Envelope protein
分子名称: Envelope protein
著者Dai, L, Shi, Y, Qi, J, Gao, G.F.
登録日2016-04-21
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody.
Cell Host Microbe, 19, 2016
4RR2
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BU of 4rr2 by Molmil
Crystal structure of human primase
分子名称: DNA primase large subunit, DNA primase small subunit, IRON/SULFUR CLUSTER, ...
著者Baranovskiy, A.G, Gu, J, Suwa, Y, Babayeva, N.D, Tahirov, T.H.
登録日2014-11-05
公開日2015-01-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of the human primase.
J.Biol.Chem., 290, 2015
6MYN
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BU of 6myn by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7
分子名称: (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Harris, S.F, Smith, M, Barker, J.
登録日2018-11-01
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.744 Å)
主引用文献Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
分子名称: 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-05-08
公開日2020-07-01
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
7V2S
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Crystal structure of juvenile hormone acid methyltransferase JHAMT isoform3 from silkworm
分子名称: Methyltranfer_dom domain-containing protein
著者Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y.
登録日2021-08-09
公開日2022-08-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.133 Å)
主引用文献Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 151, 2022
7UDH
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BU of 7udh by Molmil
Integrin alaphIIBbeta3 complex with BMS4-3
分子名称: (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-19
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99998844 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UK9
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Integrin alaphIIBbeta3 complex with lamifiban (Mn)
分子名称: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-31
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.60001969 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UFH
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Integrin alaphIIBbeta3 complex with fradafiban (Mn/Ca)
分子名称: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-22
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.99768162 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UKT
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Integrin alaphIIBbeta3 complex with BMS4.2
分子名称: (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-04-01
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.36994433 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UCY
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Integrin alaphIIBbeta3 complex with gantofiban
分子名称: (4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-17
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.34996319 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UKO
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Integrin alaphIIBbeta3 complex with sibrafiban (Mn)
分子名称: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-04-01
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UJK
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BU of 7ujk by Molmil
Integrin alaphIIBbeta3 complex with lamifiban
分子名称: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-30
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.43265581 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UDG
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Integrin alaphIIBbeta3 complex with lotrafiban
分子名称: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-19
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.800069 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022

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