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6VOS
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BU of 6vos by Molmil
Crystal structure of macaque anti-HIV-1 antibody RM20J
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, HEXAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, ...
著者Yuan, M, Wilson, I.A.
登録日2020-01-31
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates.
Plos Pathog., 16, 2020
6Q9L
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BU of 6q9l by Molmil
HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 9 AT 1.13A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q9U
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BU of 6q9u by Molmil
HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, CHLORIDE ION, ...
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q9O
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BU of 6q9o by Molmil
HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 10 AT 1.21A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: E3 ubiquitin-protein ligase Mdm2, ~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q9Q
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BU of 6q9q by Molmil
HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide, GLYCEROL, ...
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q9W
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BU of 6q9w by Molmil
X-ray structure of compound 15 bound to HdmX: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: (4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Protein Mdm4, ...
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q9H
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BU of 6q9h by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 11 AT 2.0A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: (4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, E3 ubiquitin-protein ligase Mdm2
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q9Y
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BU of 6q9y by Molmil
HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide, Protein Mdm4
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q9S
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BU of 6q9s by Molmil
HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid, Protein Mdm4, ...
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q96
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BU of 6q96 by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Kallen, J.
登録日2018-12-17
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
5VAN
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BU of 5van by Molmil
Crystal Structure of Beta-Klotho
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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Lee, S, Schlessinger, J.
登録日2017-03-27
公開日2018-01-31
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structures of beta-klotho reveal a 'zip code'-like mechanism for endocrine FGF signalling.
Nature, 553, 2018
5VAK
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BU of 5vak by Molmil
Crystal Structure of Beta-Klotho, Domain 1
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, Beta-klotho, ...
著者Lee, S, Schlessinger, J.
登録日2017-03-27
公開日2018-01-31
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of beta-klotho reveal a 'zip code'-like mechanism for endocrine FGF signalling.
Nature, 553, 2018
5VAQ
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Crystal Structure of Beta-Klotho in Complex with FGF21CT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-klotho, Fibroblast growth factor 21, ...
著者Lee, S, Schlessinger, J.
登録日2017-03-27
公開日2018-01-31
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Structures of beta-klotho reveal a 'zip code'-like mechanism for endocrine FGF signalling.
Nature, 553, 2018
1ZFP
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BU of 1zfp by Molmil
GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PENTAPEPTIDE
分子名称: EPIDERMAL GROWTH FACTOR RECEPTOR-DERIVED PEPTIDE, GROWTH FACTOR RECEPTOR BINDING PROTEIN, ZINC ION
著者Rahuel, J.
登録日1998-03-26
公開日1999-03-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the high affinity of amino-aromatic SH2 phosphopeptide ligands.
J.Mol.Biol., 279, 1998
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
登録日2020-12-11
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
5CT7
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BU of 5ct7 by Molmil
BRAF in Complex with RAF265
分子名称: 1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine, Serine/threonine-protein kinase B-raf
著者Appleton, B.A.
登録日2015-07-23
公開日2015-09-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma.
Acs Med.Chem.Lett., 6, 2015
8OIZ
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BU of 8oiz by Molmil
Crystal structure of human CRBN-DDB1 in complex with Pomalidomide
分子名称: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
著者Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M.
登録日2023-03-23
公開日2023-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
8OJH
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BU of 8ojh by Molmil
Crystal structure of human CRBN-DDB1 in complex with compound 4
分子名称: 1,2-ETHANEDIOL, 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione, DNA damage-binding protein 1, ...
著者Cabry, M.P, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2023-03-24
公開日2023-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
5V7Q
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BU of 5v7q by Molmil
Cryo-EM structure of the large ribosomal subunit from Mycobacterium tuberculosis bound with a potent linezolid analog
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Yang, K, Chang, J.-Y, Cui, Z, Zhang, J.
登録日2017-03-20
公開日2017-09-20
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
7C0J
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BU of 7c0j by Molmil
Crystal structure of chimeric mutant of GH5 in complex with Z-DNA
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Histone H5,Double-stranded RNA-specific adenosine deaminase
著者Choi, H.J, Park, C.H.
登録日2020-05-01
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process.
Nucleic Acids Res., 48, 2020
7C0I
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Crystal structure of chimeric mutant of E3L in complex with Z-DNA
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Double-stranded RNA-binding protein,Double-stranded RNA-specific adenosine deaminase, SULFATE ION
著者Choi, H.J, Park, C.H, Kim, J.S.
登録日2020-05-01
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process.
Nucleic Acids Res., 48, 2020
7U0K
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BU of 7u0k by Molmil
IOMA class antibody Fab ACS124
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, IOMA Class antibody ACS124 Heavy chain, IOMA Class antibody ACS124 Light chain
著者Farokhi, E, Stanfield, R.L, Wilson, I.A.
登録日2022-02-18
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
7U04
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IOMA class antibody ACS101
分子名称: GLYCEROL, IOMA class antibody ACS101 heavy chain, IOMA class antibody ACS101 light chain
著者Farokhi, E, Stanfield, R.L, Wilson, I.A.
登録日2022-02-17
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
7U5G
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BU of 7u5g by Molmil
ACS122 Fab
分子名称: ACS122 Fab Heavy chain, ACS122 Fab Light chain
著者Farokhi, E, Stanfield, R.L, Wilson, I.A.
登録日2022-03-02
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Complementary antibody lineages achieve neutralization breadth in an HIV-1 infected elite neutralizer.
Plos Pathog., 18, 2022
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
分子名称: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
著者Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
登録日2018-08-27
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.139 Å)
主引用文献HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020

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