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3SKC
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BU of 3skc by Molmil
Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor
分子名称: 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L.
登録日2011-06-22
公開日2011-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Bioorg.Med.Chem.Lett., 21, 2011
5W53
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BU of 5w53 by Molmil
Crystal structure of the erythrocyte-binding domain from Plasmodium vivax reticulocyte-binding protein 2b (PvRBP2b)
分子名称: POTASSIUM ION, Reticulocyte binding protein 2, putative, ...
著者Gruszczyk, J, Tham, W.H.
登録日2017-06-13
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Transferrin receptor 1 is a reticulocyte-specific receptor for Plasmodium vivax.
Science, 359, 2018
4MBJ
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BU of 4mbj by Molmil
Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor
分子名称: 2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C.
登録日2013-08-19
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 23, 2013
4G9R
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BU of 4g9r by Molmil
B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor
分子名称: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L.
登録日2012-07-24
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4G9C
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BU of 4g9c by Molmil
Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor
分子名称: 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L.
登録日2012-07-23
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3LRV
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BU of 3lrv by Molmil
The Prp19 WD40 Domain Contains a Conserved Protein Interaction Region Essential for its Function.
分子名称: Pre-mRNA-splicing factor 19, SULFATE ION
著者Vander Kooi, C.W, Chazin, W.J.
登録日2010-02-11
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Prp19 WD40 domain contains a conserved protein interaction region essential for its function.
Structure, 18, 2010
6KZU
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BU of 6kzu by Molmil
Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality
分子名称: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
著者Jiang, S, Brown, C.J.
登録日2019-09-25
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020
7M71
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BU of 7m71 by Molmil
SARS-CoV-2 Spike:5A6 Fab complex I focused refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ...
著者Asarnow, D, Cheng, Y.
登録日2021-03-26
公開日2021-05-26
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7M7B
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BU of 7m7b by Molmil
SARS-CoV-2 Spike:Fab 3D11 complex focused refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ...
著者Asarnow, D, Cheng, Y.
登録日2021-03-27
公開日2021-05-26
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
8HN6
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BU of 8hn6 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
分子名称: Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1
著者Qi, J, Chen, Y.
登録日2022-12-07
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
8HN7
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BU of 8hn7 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ...
著者Qi, J, Chen, Y.
登録日2022-12-07
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
3PSB
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BU of 3psb by Molmil
Furo[2,3-c]pyridine-based Indanone Oximes as Potent and Selective B-Raf Inhibitors
分子名称: B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate
著者Morales, T, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-12-01
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
8BT1
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BU of 8bt1 by Molmil
YdaT transcription regulator (CII functional analog)
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Prolic-Kalinsek, M, Loris, R.
登録日2022-11-27
公開日2023-02-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.39788437 Å)
主引用文献Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
7EK6
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BU of 7ek6 by Molmil
Structure of viral peptides IPB19/N52
分子名称: Spike protein S2
著者Yu, D, Qin, B, Cui, S, He, Y.
登録日2021-04-04
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.243 Å)
主引用文献Structure-based design and characterization of novel fusion-inhibitory lipopeptides against SARS-CoV-2 and emerging variants.
Emerg Microbes Infect, 10, 2021
7F4W
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BU of 7f4w by Molmil
Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope pep4
分子名称: Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 T-cell Epitope pep4
著者Deng, S, Jin, T.
登録日2021-06-21
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Profiling CD8 + T cell epitopes of COVID-19 convalescents reveals reduced cellular immune responses to SARS-CoV-2 variants.
Cell Rep, 36, 2021
7EU2
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BU of 7eu2 by Molmil
Complex structure of HLA0201 with recognizing SARS-CoV-2 epitope S1
分子名称: Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 T-cell Epitope S1
著者Deng, S, Jin, T.
登録日2021-05-15
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Profiling CD8 + T cell epitopes of COVID-19 convalescents reveals reduced cellular immune responses to SARS-CoV-2 variants.
Cell Rep, 36, 2021
6Q40
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BU of 6q40 by Molmil
A secreted LysM effector of the wheat pathogen Zymoseptoria tritici protects the fungal hyphae against chitinase hydrolysis through ligand-dependent polymerisation of LysM homodimers
分子名称: 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, CHLORIDE ION, LysM domain-containing protein
著者Mesters, J.R, Saleem-Batcha, R, Sanchez-Vallet, A, Thomma, B.P.H.J.
登録日2018-12-05
公開日2019-10-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.412 Å)
主引用文献A secreted LysM effector protects fungal hyphae through chitin-dependent homodimer polymerization.
Plos Pathog., 16, 2020
4U7D
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BU of 4u7d by Molmil
Structure of human RECQ-like helicase in complex with an oligonucleotide
分子名称: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
著者Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2014-07-30
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures.
Proc.Natl.Acad.Sci.USA, 112, 2015
6TLG
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BU of 6tlg by Molmil
Ligand-free state of human 14-3-3 sigma isoform
分子名称: 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-02
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
7OCJ
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BU of 7ocj by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509)
分子名称: 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509)
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2021-04-27
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
7ZCT
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Structure of the red fluorescent protein mScarlet3 at pH 7.5
分子名称: Red fluorescent protein drFP583
著者Aumonier, S, Dupuy, J, Royant, A.
登録日2022-03-28
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献mScarlet3: a brilliant and fast-maturing red fluorescent protein.
Nat.Methods, 20, 2023
1AM6
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CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE
分子名称: ACETOHYDROXAMIC ACID, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Scolnick, L.R, Clements, A.M, Christianson, D.W.
登録日1997-06-24
公開日1998-06-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel Binding Mode of Hydroxamate Inhibitors to Human Carbonic Anhydrase II
J.Am.Chem.Soc., 119, 1997
7B5G
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BU of 7b5g by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527)
分子名称: 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ...
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2020-12-03
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
7ZRA
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BU of 7zra by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497)
分子名称: 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497)
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2022-05-04
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
5LK4
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BU of 5lk4 by Molmil
Structure of the Red Fluorescent Protein mScarlet at pH 7.8
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TETRAETHYLENE GLYCOL, ...
著者Aumonier, S, Gotthard, G, Royant, A.
登録日2016-07-20
公開日2016-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献mScarlet: a bright monomeric red fluorescent protein for cellular imaging.
Nat. Methods, 14, 2017

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