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5OEM
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Crystal Structure of Interferon Regulatory Factor 9 IAD Domain
分子名称: Interferon regulatory factor 9, PHOSPHATE ION
著者Rengachari, S, Panne, D.
登録日2017-07-09
公開日2018-01-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of STAT2 recognition by IRF9 reveals molecular insights into ISGF3 function.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OEN
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BU of 5oen by Molmil
Crystal Structure of STAT2 in complex with IRF9
分子名称: Interferon regulatory factor 9, Signal transducer and activator of transcription
著者Rengachari, S, Panne, D.
登録日2017-07-09
公開日2018-01-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.919 Å)
主引用文献Structural basis of STAT2 recognition by IRF9 reveals molecular insights into ISGF3 function.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5QKB
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BU of 5qkb by Molmil
Ground-state model of NUDT5 and corresponding apo datasets for PanDDA analysis
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-12-07
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
3CQU
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BU of 3cqu by Molmil
Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor
分子名称: Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase
著者Pandit, J.
登録日2008-04-03
公開日2008-05-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and structure based optimization of novel Akt inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
7SN0
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BU of 7sn0 by Molmil
Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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, ...
著者Pan, J, Abraham, J, Clark, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN1
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Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
分子名称: neutralizing antibody C1C-A3 Fab heavy chain, neutralizing antibody C1C-A3 Fab light chain
著者Pan, J, Abraham, J, Clark, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN3
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Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pan, J, Abraham, J, Shankar, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN2
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Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pan, J, Abraham, J, Yang, P, Shankar, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
8Y66
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BU of 8y66 by Molmil
Cryo-EM structure of human urate transporter GLUT9 bound to inhibitor apigenin
分子名称: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Solute carrier family 2, facilitated glucose transporter member 9
著者Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y.
登録日2024-02-01
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structural basis for urate recognition and apigenin inhibition of human GLUT9.
Nat Commun, 15, 2024
8Y65
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Cryo-EM structure of human urate transporter GLUT9 bound to substrate urate
分子名称: Solute carrier family 2, facilitated glucose transporter member 9, URIC ACID
著者Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y.
登録日2024-02-01
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structural basis for urate recognition and apigenin inhibition of human GLUT9.
Nat Commun, 15, 2024
2L7T
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BU of 2l7t by Molmil
Solution structure of the MFS-bound Sans CEN2 peptide
分子名称: MFS-bound Sans CEN2 peptide
著者Pan, L, Wu, L, Wei, Z, Zhang, M.
登録日2010-12-22
公開日2011-03-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of MyTH4-FERM domains in myosin VIIa tail bound to cargo.
Science, 331, 2011
2LSR
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BU of 2lsr by Molmil
Solution structure of harmonin N terminal domain in complex with a exon68 encoded peptide of cadherin23
分子名称: Harmonin, peptide from Cadherin-23
著者Pan, L, Wu, L, Zhang, C, Zhang, M.
登録日2012-05-04
公開日2012-08-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Large protein assemblies formed by multivalent interactions between cadherin23 and harmonin suggest a stable anchorage structure at the tip link of stereocilia.
J.Biol.Chem., 287, 2012
3TOE
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BU of 3toe by Molmil
Structure of Mth10b
分子名称: DNA/RNA-binding protein Alba
著者Pan, X.M, Zhang, N, Liu, Y.F, Liu, X.
登録日2011-09-05
公開日2012-04-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Molecular mechanism underlying the interaction of typical Sac10b family proteins with DNA.
Plos One, 7, 2012
7WJS
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BU of 7wjs by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157
分子名称: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-07
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WKY
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BU of 7wky by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153
分子名称: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-12
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
6VU2
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BU of 6vu2 by Molmil
M1214_N1 Fab structure
分子名称: M1214 N1 Fab heavy chain, M1214 N1 Fab light chain
著者Pan, R, Kong, X.
登録日2020-02-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA.
Cell Host Microbe, 27, 2020
4I6H
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BU of 4i6h by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
Chemmedchem, 8, 2013
4I6B
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BU of 4i6b by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I6F
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BU of 4i6f by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
7WLN
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BU of 7wln by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153
分子名称: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-13
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMQ
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BU of 7wmq by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157
分子名称: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-16
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7KFX
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BU of 7kfx by Molmil
Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-C2 Fab, ...
著者Pan, J, Abraham, J, Clark, L, Clark, S.
登録日2020-10-15
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Biorxiv, 2020
2LHP
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BU of 2lhp by Molmil
High resolution NMR solution structure of helix H1 of the chimpanzee HAR1 RNA
分子名称: RNA (37-MER)
著者Cevec, M, Ziegeler, M, Richter, C, Schwalbe, H.
登録日2011-08-12
公開日2012-07-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献NMR Studies of HAR1 RNA Secondary Structures Reveal Conformational Dynamics in the Human RNA.
Chembiochem, 13, 2012
4MNQ
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BU of 4mnq by Molmil
TCR-peptide specificity overrides affinity enhancing TCR-MHC interactions
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Cole, D.K, Sewell, A.K, Jakobsen, B.K.
登録日2013-09-11
公開日2013-11-13
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (2.742 Å)
主引用文献T-cell receptor (TCR)-peptide specificity overrides affinity-enhancing TCR-major histocompatibility complex interactions.
J.Biol.Chem., 289, 2014
3IVH
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Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
分子名称: Beta-secretase 1, N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
著者Pan, H.
登録日2009-09-01
公開日2010-01-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009

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