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8CK4
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STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol
分子名称: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Musil, D.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
6VIP
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TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
分子名称: TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
著者The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-01-13
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
to be published
7QNU
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BU of 7qnu by Molmil
SMYD3 in complex with fragment FL08619
分子名称: BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
6BGE
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BU of 6bge by Molmil
HELICOBACTER PYLORI ATPASE, HP0525, IN COMPLEX WITH 1G2 COMPOUND
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(pyridin-2-yl)oxy]benzoic acid, GLYCEROL, ...
著者Arya, T, Casu, B, Baron, C.
登録日2017-10-27
公開日2018-10-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CagAlpha in complex with hexamer inhibitor
To Be Published
6SJ5
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BU of 6sj5 by Molmil
Crystal structure of the uL14-RsfS complex from Staphylococcus aureus
分子名称: 50S ribosomal protein L14, ACETIC ACID, PHOSPHATE ION, ...
著者Fatkhullin, B, Gabdulkhakov, A, Yusupova, G, Yusupov, M.
登録日2019-08-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26686549 Å)
主引用文献Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach.
Nat Commun, 11, 2020
7QNR
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SMYD3 in complex with fragment FL01791
分子名称: 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
8AN4
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MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv
分子名称: Bacterial toxin
著者Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P.
登録日2022-08-04
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding.
Nat Commun, 14, 2023
8AN5
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MenAT1 toxin-antitoxin complex (rv0078a-rv0078b) from Mycobacterium tuberculosis H37Rv
分子名称: Bacterial toxin, Conserved protein
著者Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P.
登録日2022-08-04
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding.
Nat Commun, 14, 2023
4L99
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BU of 4l99 by Molmil
Structure of the RBP from lactococcal phage 1358 in complex with glycerol
分子名称: GLYCEROL, Receptor Binding Protein, ZINC ION
著者Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C.
登録日2013-06-18
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism
To be Published
8ADX
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BU of 8adx by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55
分子名称: Phenolic acid decarboxylase N55, SULFATE ION
著者Schruefer, A, Mokos, D, Gruber, K, Daniel, B.
登録日2022-07-12
公開日2023-08-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Reconstructed ancestral sequences of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
8CMB
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BU of 8cmb by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
7LT1
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Structure of the cGAS-like receptor human MB21D2
分子名称: Protein MB21D2, SULFATE ION
著者Morehouse, B.R, Slavik, K.M, Kranzusch, P.J.
登録日2021-02-18
公開日2021-07-21
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
8SXZ
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BU of 8sxz by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state
分子名称: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
登録日2023-05-24
公開日2024-05-01
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8CMH
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BU of 8cmh by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8T0R
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BU of 8t0r by Molmil
Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state (full helix)
分子名称: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
登録日2023-06-01
公開日2024-05-01
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
4L97
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BU of 4l97 by Molmil
Structure of the RBP of lactococcal phage 1358 in complex with glucose-1-phosphate
分子名称: 1-O-phosphono-alpha-D-glucopyranose, Receptor Binding Protein
著者Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C.
登録日2013-06-18
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism
To be Published
5YCR
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BU of 5ycr by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with NAD+
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Kim, H.T.
登録日2017-09-08
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural insights into the dimer-tetramer transition of FabI from Bacillus anthracis
Biochem. Biophys. Res. Commun., 493, 2017
8T0K
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Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state
分子名称: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
登録日2023-06-01
公開日2024-05-01
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8SZ8
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BU of 8sz8 by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state (full helix)
分子名称: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
登録日2023-05-27
公開日2024-05-01
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
5UCZ
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BU of 5ucz by Molmil
Class II fructose-1,6-bisphosphate aldolase E149A variant of Helicobacter pylori with DHAP
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ...
著者Jacques, B, Sygusch, J.
登録日2016-12-23
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
5M0C
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BU of 5m0c by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the Fasudil-fragment isoquinoline-5-sulfonamide
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-10-04
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
5M0L
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BU of 5m0l by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-10-05
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.465 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
6BQ5
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Crystal structure of Medicago truncatula Thermospermine Synthase (MtTSPS) in complex with 5'-methylthioadenosine
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ...
著者Sekula, B, Dauter, Z.
登録日2017-11-27
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of thermospermine synthase fromMedicago truncatulaand substrate discriminatory features of plant aminopropyltransferases.
Biochem. J., 475, 2018
6BP0
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Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J, Structural Genomics Consortium (SGC)
登録日2017-11-21
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor
To Be Published
5C0Y
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Crystal structure of the Rrp6 catalytic domain bound to poly(U) RNA
分子名称: Exosome complex exonuclease RRP6, MAGNESIUM ION, poly U RNA
著者Schuch, B, Conti, E.
登録日2015-06-12
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献RNA degradation paths in a 12-subunit nuclear exosome complex.
Nature, 524, 2015

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