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7C1K
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BU of 7c1k by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-04
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.755 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
5UAN
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BU of 5uan by Molmil
Crystal structure of multi-domain RAR-beta-RXR-alpha heterodimer on DNA
分子名称: (9cis)-retinoic acid, DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*AP*G)-3'), ...
著者Chandra, V, Wu, D, Kim, Y, Rastinejad, F.
登録日2016-12-19
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.508 Å)
主引用文献The quaternary architecture of RAR beta-RXR alpha heterodimer facilitates domain-domain signal transmission.
Nat Commun, 8, 2017
4N0A
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BU of 4n0a by Molmil
Crystal structure of Lsm2-3-Pat1C complex from Saccharomyces cerevisiae
分子名称: DNA topoisomerase 2-associated protein PAT1, U6 snRNA-associated Sm-like protein LSm2, U6 snRNA-associated Sm-like protein LSm3
著者Wu, D.H.
登録日2013-10-01
公開日2013-12-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Lsm2 and Lsm3 bridge the interaction of the Lsm1-7 complex with Pat1 for decapping activation
Cell Res., 24, 2014
8YJ3
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BU of 8yj3 by Molmil
N17.1.2 recognition of NRAS neoantigens
分子名称: tcr alpha, tcr beta
著者Wu, D.C, Mariuzza, R.A.
登録日2024-02-29
公開日2024-12-04
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Structural characterization and AlphaFold modeling of human T cell receptor recognition of NRAS cancer neoantigens.
Sci Adv, 10, 2024
8EY5
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BU of 8ey5 by Molmil
Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3
分子名称: COBALT (II) ION, MYRISTIC ACID, Serum albumin
著者Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-26
公開日2022-11-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
8YJ2
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BU of 8yj2 by Molmil
N17.1.2 recognition of NRAS neoantigens
分子名称: Beta-2-microglobulin, ILE-LEU-ASP-THR-ALA-GLY-ARG-GLU-GLU-TYR, human leukocyte antigen, ...
著者Wu, D.C, Mariuzza, R.A.
登録日2024-02-29
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.261 Å)
主引用文献Structural characterization and AlphaFold modeling of human T cell receptor recognition of NRAS cancer neoantigens.
Sci Adv, 10, 2024
8YIV
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BU of 8yiv by Molmil
N17.1.2 recognition of NRAS neoantigens
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Wu, D.C, Mariuzza, R.A.
登録日2024-02-29
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural characterization and AlphaFold modeling of human T cell receptor recognition of NRAS cancer neoantigens.
Sci Adv, 10, 2024
8EW4
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BU of 8ew4 by Molmil
Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1
分子名称: COBALT (II) ION, MYRISTIC ACID, Serum albumin
著者Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-21
公開日2022-11-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
8EW7
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BU of 8ew7 by Molmil
Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 2
分子名称: COBALT (II) ION, MYRISTIC ACID, Serum albumin
著者Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-21
公開日2022-11-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
7MBL
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BU of 7mbl by Molmil
Crystal structure of Equine Serum Albumin in complex with Cobalt (II)
分子名称: COBALT (II) ION, SULFATE ION, Serum albumin
著者Shabalin, I.G, Czub, M.P, Handing, K.B, Cymborowski, M.T, Grabowski, M, Cooper, D.R, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-03-31
公開日2021-04-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and biochemical characterisation of Co 2+ -binding sites on serum albumins and their interplay with fatty acids.
Chem Sci, 14, 2023
7YLA
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BU of 7yla by Molmil
Cryo-EM structure of 50S-HflX complex
分子名称: 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Damu, W, Ning, G.
登録日2022-07-25
公開日2023-01-04
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Cryo-EM Structure of the 50S-HflX Complex Reveals a Novel Mechanism of Antibiotic Resistance in E. coli
Biorxiv, 2022
7QVJ
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BU of 7qvj by Molmil
ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29
分子名称: 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol, Estrogen receptor
著者Breed, J.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
7QVL
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BU of 7qvl by Molmil
OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38
分子名称: (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor
著者Breed, J.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
分子名称: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
著者Ferguson, A, Collie, G.W.
登録日2020-05-22
公開日2020-12-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
9QT6
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BU of 9qt6 by Molmil
Crystal structure of HPK1 T165E/S171E in complex with pyrazine carboxamide inhibitor
分子名称: 1,2-ETHANEDIOL, 3-[(1,3-dimethylpyrazol-4-yl)amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Schimpl, M.
登録日2025-04-08
公開日2025-05-28
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery and Optimization of Pyrazine Carboxamide AZ3246, a Selective HPK1 Inhibitor.
J.Med.Chem., 68, 2025
9J0K
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BU of 9j0k by Molmil
An agonist(compound 14e)of Thyroid Hormone Receptor B
分子名称: 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B, Li, Y.
登録日2024-08-02
公開日2025-07-02
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
9IX5
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BU of 9ix5 by Molmil
An agonist(compound 15n) of Thyroid Hormone Receptor B
分子名称: 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B, Li, Y.
登録日2024-07-26
公開日2025-07-02
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
8HIP
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BU of 8hip by Molmil
dsRNA transporter
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Systemic RNA interference defective protein 1, ZINC ION, ...
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-21
公開日2023-11-29
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 31, 2024
8HKE
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BU of 8hke by Molmil
dsRNA transporter
分子名称: RNA (37-MER), Systemic RNA interference defective protein 1, ZINC ION
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-25
公開日2023-11-29
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 31, 2024
7FCP
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BU of 7fcp by Molmil
Crystallographic structure of two neutralizing antibodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zheng, P, Jin, T.
登録日2021-07-15
公開日2022-06-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
7FCQ
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BU of 7fcq by Molmil
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, P14-44 antibody Fab fragment heavy chain, ...
著者Zheng, P, Jin, T.
登録日2021-07-15
公開日2022-06-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
8HSB
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BU of 8hsb by Molmil
Cryo-EM Structure of CdnG-E2 complex from Serratia marcescens (UltrAuFoil)
分子名称: CdnG, Type VI secretion protein
著者Xiao, J, Wang, L.
登録日2022-12-18
公開日2024-05-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Phage defence system CBASS is regulated by a prokaryotic E2 enzyme that imitates the ubiquitin pathway.
Nat Microbiol, 9, 2024
9ODR
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BU of 9odr by Molmil
Structure of CRBN TBD bound to compound C1
分子名称: (3S)-3-(6-oxo-6,8-dihydro-2H,7H-spiro[furo[2,3-e]isoindole-3,4'-piperidin]-7-yl)piperidine-2,6-dione, Protein cereblon, ZINC ION
著者Strickland, C, Rice, C.
登録日2025-04-27
公開日2025-05-28
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery and Characterization of PVTX-321 as a Potent and Orally Bioavailable Estrogen Receptor Degrader for ER+/HER2- Breast Cancer.
J.Med.Chem., 68, 2025
9ODS
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BU of 9ods by Molmil
Structure of CRBN TBD bound to compound C3
分子名称: (1P)-1-[(4S)-8H-spiro[furo[2,3-c]imidazo[1,2-a]pyridine-7,4'-piperidin]-3-yl]pyrimidine-2,4(1H,3H)-dione, Protein cereblon, ZINC ION
著者Strickland, C, Rice, C.
登録日2025-04-27
公開日2025-05-28
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery and Characterization of PVTX-321 as a Potent and Orally Bioavailable Estrogen Receptor Degrader for ER+/HER2- Breast Cancer.
J.Med.Chem., 68, 2025

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件を2025-07-09に公開中

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