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8HFS
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BU of 8hfs by Molmil
The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis
分子名称: Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ...
著者Wang, J.W.
登録日2022-11-12
公開日2023-02-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
6VQF
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BU of 6vqf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST
分子名称: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2020-02-05
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
8OVZ
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BU of 8ovz by Molmil
Crystal structure of D1228V c-MET bound by compound 16
分子名称: 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION
著者Collie, G.W.
登録日2023-04-26
公開日2023-07-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OUV
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BU of 8ouv by Molmil
Crystal structure of D1228V c-MET bound by compound 15
分子名称: 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, CHLORIDE ION, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-24
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OUU
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BU of 8ouu by Molmil
Crystal structure of D1228V c-MET bound by compound 29
分子名称: 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ...
著者Collie, G.W.
登録日2023-04-24
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OW3
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BU of 8ow3 by Molmil
Crystal structure of wild-type c-MET bound by compound 2
分子名称: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-26
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OV7
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BU of 8ov7 by Molmil
Crystal structure of D1228V c-MET bound by compound 10
分子名称: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-25
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
7KHR
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BU of 7khr by Molmil
Cryo-EM structure of bafilomycin A1-bound intact V-ATPase from bovine brain
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, R, Li, X.
登録日2020-10-21
公開日2021-03-17
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Molecular basis of V-ATPase inhibition by bafilomycin A1.
Nat Commun, 12, 2021
5Y8Y
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BU of 5y8y by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.87 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
7LD3
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BU of 7ld3 by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist and an allosteric ligand
分子名称: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A.
登録日2021-01-12
公開日2021-09-08
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
7LD4
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BU of 7ld4 by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist
分子名称: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A.
登録日2021-01-12
公開日2021-09-08
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
8HM1
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BU of 8hm1 by Molmil
crystal structure of human ubiquitin-like protein from Bacteroides fragilis
分子名称: 1,2-ETHANEDIOL, Putative ubiquitin
著者Tong, M, Chen, Z, Gao, X.
登録日2022-12-02
公開日2023-11-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8HM2
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BU of 8hm2 by Molmil
Crystal structure of human ubiquitin-like protein from bacteroides fragilis c terminal cysteine mutant
分子名称: Putative ubiquitin
著者Tong, M, Chen, Z, Gao, X.
登録日2022-12-02
公開日2023-11-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8HM3
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BU of 8hm3 by Molmil
Complex of PPIase-BfUbb
分子名称: GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ...
著者Xu, J.H, Chen, Z, Gao, X.
登録日2022-12-02
公開日2023-11-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8HM4
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BU of 8hm4 by Molmil
Crystal structure of PPIase
分子名称: Peptidylprolyl isomerase
著者Xu, J.H, Chen, Z, Gao, X.
登録日2022-12-02
公開日2023-11-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8OWG
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BU of 8owg by Molmil
Crystal structure of D1228V c-MET bound by compound 2
分子名称: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2023-04-27
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.631 Å)
主引用文献Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
4KW5
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BU of 4kw5 by Molmil
M. tuberculosis DprE1 in complex with inhibitor TCA1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ...
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2013-05-23
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.612 Å)
主引用文献Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
1AHC
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BU of 1ahc by Molmil
THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN
分子名称: ALPHA-MOMORCHARIN
著者Ren, J, Wang, Y, Dong, Y, Stuart, D.I.
登録日1994-01-07
公開日1994-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
1AHA
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BU of 1aha by Molmil
THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN
分子名称: ADENINE, ALPHA-MOMORCHARIN
著者Ren, J, Wang, Y, Dong, Y, Stuart, D.I.
登録日1994-01-07
公開日1994-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
1AHB
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BU of 1ahb by Molmil
THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN
分子名称: ALPHA-MOMORCHARIN, FORMYCIN-5'-MONOPHOSPHATE
著者Ren, J, Wang, Y, Dong, Y, Stuart, D.I.
登録日1994-01-07
公開日1994-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
5LR4
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BU of 5lr4 by Molmil
RNA duplex has central consecutive GA pairs flanked by G-U basepairs with a methyl group on the adenine N6
分子名称: RNA (5'-R(*GP*(CBV)P*CP*GP*GP*(6MZ)P*UP*GP*GP*C)-3'), SODIUM ION
著者Huang, L, Lilley, D.M.J.
登録日2016-08-18
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
5LQO
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BU of 5lqo by Molmil
RNA duplex has central consecutive GA pairs flanked by G-C basepairs
分子名称: RNA (5'-R(*GP*(CBV)P*CP*GP*GP*AP*CP*GP*GP*C)-3')
著者Huang, L, Lilley, D.M.J.
登録日2016-08-17
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
5LR3
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BU of 5lr3 by Molmil
RNA duplex has central consecutive GA pairs flanked by G-U basepairs
分子名称: RNA (5'-R(*GP*(CBV)P*CP*GP*GP*AP*UP*GP*GP*C)-3'), SULFATE ION
著者Huang, L, Lilley, D.M.J.
登録日2016-08-18
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
5LR5
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BU of 5lr5 by Molmil
N6-methyladenine is accommodated in a conventional A-U basepair
分子名称: RNA (5'-R(*GP*GP*(6MZ)P*CP*UP*AP*GP*UP*(CBV)P*C)-3'), SULFATE ION
著者Huang, L, Lilley, D.M.J.
登録日2016-08-18
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
8IG6
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BU of 8ig6 by Molmil
Crystal structure of MERS main protease in complex with GC376
分子名称: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024

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