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6SCT
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BU of 6sct by Molmil
Cryo-EM structure of the consensus triskelion hub of the clathrin coat complex
分子名称: Clathrin heavy chain, Clathrin light chain
著者Morris, K.L, Cameron, A.D, Sessions, R, Smith, C.J.
登録日2019-07-25
公開日2019-10-02
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.69 Å)
主引用文献Cryo-EM of multiple cage architectures reveals a universal mode of clathrin self-assembly.
Nat.Struct.Mol.Biol., 26, 2019
6SCM
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BU of 6scm by Molmil
SOS1 in Complex with Inhibitor BI-3406
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ...
著者Kessler, D, Fischer, G, Ramharter, J.
登録日2019-07-24
公開日2020-08-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
6SO5
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BU of 6so5 by Molmil
Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer
分子名称: ATPase ASNA1, Calcium signal-modulating cyclophilin ligand, Tail-anchored protein insertion receptor WRB, ...
著者McDowell, M.A, Heimes, M, Wild, K, Flemming, D, Sinning, I.
登録日2019-08-29
公開日2020-09-09
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural Basis of Tail-Anchored Membrane Protein Biogenesis by the GET Insertase Complex.
Mol.Cell, 80, 2020
6SLE
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BU of 6sle by Molmil
Structure of Reductive Aminase from Neosartorya fumigata in complex with NADP+
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, putative
著者Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G.
登録日2019-08-19
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases.
Chem Sci, 11, 2020
6SWN
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BU of 6swn by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778)
分子名称: 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4, ...
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6SWQ
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BU of 6swq by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD2 (GSK046)
分子名称: 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6SWP
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BU of 6swp by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046)
分子名称: 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 2
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6T3H
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BU of 6t3h by Molmil
Structure of the Rap conjugation gene regulator of the plasmid pLS20 in apo form
分子名称: Response regulator aspartate phosphatase
著者Crespo, I, Bernardo, N, Meijer, W.J.J, Boer, D.R.
登録日2019-10-11
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.039 Å)
主引用文献Inactivation of the dimeric RappLS20 anti-repressor of the conjugation operon is mediated by peptide-induced tetramerization.
Nucleic Acids Res., 48, 2020
6TQ3
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BU of 6tq3 by Molmil
Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA)
分子名称: Enzyme subunit
著者Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A.
登録日2019-12-16
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering.
Elife, 9, 2020
6T46
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BU of 6t46 by Molmil
Structure of the Rap conjugation gene regulator of the plasmid pLS20 in complex with the Phr* peptide
分子名称: CHLORIDE ION, Quorum-sensing secretion protein (processed), Response regulator aspartate phosphatase, ...
著者Crespo, I, Bernardo, N, Meijer, W.J.J, Boer, D.R.
登録日2019-10-12
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inactivation of the dimeric RappLS20 anti-repressor of the conjugation operon is mediated by peptide-induced tetramerization.
Nucleic Acids Res., 48, 2020
6TQ8
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BU of 6tq8 by Molmil
Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA): thermostable 10fold mutant
分子名称: enzyme subunit
著者Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A.
登録日2019-12-16
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering.
Elife, 9, 2020
6TQ5
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BU of 6tq5 by Molmil
Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA): complex with NADP+
分子名称: Enzyme subunit, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A.
登録日2019-12-16
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering.
Elife, 9, 2020
6SKX
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BU of 6skx by Molmil
Structure of Reductive Aminase from Neosartorya fumigata
分子名称: Oxidoreductase, putative
著者Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G.
登録日2019-08-16
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases.
Chem Sci, 11, 2020
6SLH
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BU of 6slh by Molmil
Conformational flexibility within the small domain of human serine racemase.
分子名称: MAGNESIUM ION, SODIUM ION, Serine racemase, ...
著者Koulouris, C.R, Bax, B, Atack, J, Roe, S.M.
登録日2019-08-19
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Conformational flexibility within the small domain of human serine racemase.
Acta Crystallogr.,Sect.F, 76, 2020
6SWO
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BU of 6swo by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD1 (GSK778)
分子名称: 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 2
著者Chung, C.
登録日2019-09-22
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
6U38
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BU of 6u38 by Molmil
PCSK9 in complex with a Fab and compound 8
分子名称: 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6UBI
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BU of 6ubi by Molmil
N123-VRC34.05 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
分子名称: HIV fusion peptide 512-519, VRC34.05 heavy chain, VRC34.05 light chain
著者Xu, K, Liu, K, Kwong, P.D.
登録日2019-09-11
公開日2020-03-18
最終更新日2020-04-22
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6U2N
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BU of 6u2n by Molmil
PCSK9 in complex with compound 4
分子名称: 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-20
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6TSC
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BU of 6tsc by Molmil
OphMA I407P complex with SAH
分子名称: GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-VAL-PRO-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Song, H, Naismith, J.H.
登録日2019-12-20
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6TAV
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BU of 6tav by Molmil
Crystal structure of endopeptidase-induced alpha2-macroglobulin
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, Alpha-2-macroglobulin, ...
著者Gomis-Ruth, F.X, Duquerroy, S, Trapani, S, Marrero, A, Goulas, T, Guevara, T, Andersen, G.A, Sottrup-Jensen, L, Navaza, J.
登録日2019-10-30
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Cryo-EM structures shows the mechanistic basis of pan-peptidase inhibition by human alpha2-macroglobulin
Proc.Natl.Acad.Sci.USA, 2022
6U3K
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BU of 6u3k by Molmil
The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4
分子名称: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2019-08-21
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Biochemistry, 59, 2020
6UCG
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BU of 6ucg by Molmil
Retinoic acid receptor-related orphan receptor (ROR) gamma in complex with allosteric compound 28
分子名称: (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid, Nuclear receptor ROR-gamma
著者Palte, R.L, Parthasarathy, G.
登録日2019-09-16
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Discovery ofN-(Indazol-3-yl)piperidine-4-carboxylic Acids as ROR gamma t Allosteric Inhibitors for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
6UH8
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BU of 6uh8 by Molmil
Crystal structure of DAD2 N242I mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Decreased Apical Dominance 2, GLYCEROL, ...
著者Sharma, P, Hamiaux, C, Snowden, K.C.
登録日2019-09-27
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Flexibility of the petunia strigolactone receptor DAD2 promotes its interaction with signaling partners.
J.Biol.Chem., 295, 2020
6TA8
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BU of 6ta8 by Molmil
Crystal structure of the epimerization domain from the third module of tyrocidine synthetase B, TycB3(E)
分子名称: Tyrocidine synthase 2
著者Fage, C.D, Marahiel, M.A.
登録日2019-10-29
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Communication Breakdown: Dissecting the COM Interfaces between the Subunits of Nonribosomal Peptide Synthetases
Acs Catalysis, 2021
2HHM
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BU of 2hhm by Molmil
STRUCTURE OF INOSITOL MONOPHOSPHATASE, THE PUTATIVE TARGET OF LITHIUM THERAPY
分子名称: GADOLINIUM ATOM, INOSITOL MONOPHOSPHATASE, SULFATE ION
著者Bone, R.
登録日1992-10-20
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of inositol monophosphatase, the putative target of lithium therapy.
Proc.Natl.Acad.Sci.USA, 89, 1992

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