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4MC2
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BU of 4mc2 by Molmil
HIV protease in complex with SA525P
分子名称: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
著者Ganguly, A.K, Alluri, S.S, Wang, C, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4MC1
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BU of 4mc1 by Molmil
HIV protease in complex with SA526P
分子名称: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
著者Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
8GRM
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BU of 8grm by Molmil
Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome
分子名称: COMMD3 protein, DNA (144-MER), DNA (145-MER), ...
著者Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
登録日2022-09-02
公開日2023-04-12
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
8GRQ
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BU of 8grq by Molmil
Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome
分子名称: BRCA1-associated RING domain protein 1, Breast cancer type 1 susceptibility protein, DNA (147-MER), ...
著者Ai, H.S, Zebin, T, Zhiheng, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
登録日2022-09-02
公開日2023-04-12
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
4MC6
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BU of 4mc6 by Molmil
HIV protease in complex with SA499
分子名称: 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ...
著者Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
7XZO
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BU of 7xzo by Molmil
Formate-tetrahydrofolate ligase in complex with ATP
分子名称: (R,R)-2,3-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
著者Fang, C.L, Zhang, Y.
登録日2022-06-03
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZN
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BU of 7xzn by Molmil
Formate-tetrahydrofolate ligase from Peptostreptococcus anaerobius
分子名称: 1,2-ETHANEDIOL, Formate--tetrahydrofolate ligase, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Fang, C.L, Zhang, Y.
登録日2022-06-03
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZP
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BU of 7xzp by Molmil
Formate-tetrahydrofolate ligase in complex with berberine
分子名称: BERBERINE, Formate--tetrahydrofolate ligase, PROLINE, ...
著者Fang, C.L, Zhang, Y.
登録日2022-06-03
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7Y8O
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BU of 7y8o by Molmil
Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
分子名称: 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SciR
著者Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
登録日2022-06-24
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
to be published
8W6R
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BU of 8w6r by Molmil
murine SMPDL3A bound to sulfate
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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Zhang, C, Liu, P, Fan, S.
登録日2023-08-29
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
8W6P
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BU of 8w6p by Molmil
Crystal structure of dimeric murine SMPDL3A
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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Zhang, C, Liu, P, Fan, S, Hou, Y.
登録日2023-08-29
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
3LVL
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BU of 3lvl by Molmil
Crystal Structure of E.coli IscS-IscU complex
分子名称: Cysteine desulfurase, NifU-like protein, PYRIDOXAL-5'-PHOSPHATE
著者Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2010-02-22
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
3LC0
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BU of 3lc0 by Molmil
Histidyl-tRNA synthetase from Trypanosoma cruzi (Histidine complex)
分子名称: HISTIDINE, Histidyl-tRNA synthetase
著者Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-01-08
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Trypanosomal Histidyl-tRNA Synthetase Illuminate Differences between Eukaryotic and Prokaryotic Homologs.
J.Mol.Biol., 397, 2010
3LSS
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BU of 3lss by Molmil
Trypanosoma brucei seryl-tRNA synthetase in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MALONATE ION, SODIUM ION, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-02-12
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei.
to be published
3LVK
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BU of 3lvk by Molmil
Crystal Structure of E.coli IscS-TusA complex (form 2)
分子名称: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE, Sulfurtransferase tusA
著者Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2010-02-22
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.442 Å)
主引用文献Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
3LVM
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BU of 3lvm by Molmil
Crystal Structure of E.coli IscS
分子名称: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
著者Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2010-02-22
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
4RL1
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BU of 4rl1 by Molmil
Structural and functional analysis of a loading acyltransferase from the avermectin modular polyketide synthase
分子名称: Type I polyketide synthase AVES 1
著者Wang, F, Wang, Y, Zheng, J.
登録日2014-10-15
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analysis of the loading acyltransferase from avermectin modular polyketide synthase.
Acs Chem.Biol., 10, 2015
3LSQ
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BU of 3lsq by Molmil
Trypanosoma brucei seryl-tRNA synthetase
分子名称: MALONATE ION, SODIUM ION, Seryl-tRNA synthetase
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-02-12
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei.
to be published
4TVZ
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BU of 4tvz by Molmil
Crystal Structure of SCARB2 in Neural Condition (pH7.5)
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, Scavenger receptor class B member 2, ...
著者Dang, M.H, Wang, X.X, Rao, Z.H.
登録日2014-06-29
公開日2015-07-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.006 Å)
主引用文献Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
3LVJ
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BU of 3lvj by Molmil
Crystal Structure of E.coli IscS-TusA complex (form 1)
分子名称: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE, Sulfurtransferase tusA
著者Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2010-02-22
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.435 Å)
主引用文献Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
分子名称: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
7JOU
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BU of 7jou by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
分子名称: N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, Rho-associated protein kinase 1
著者Muckelbauer, J.K.
登録日2020-08-07
公開日2020-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.318 Å)
主引用文献Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
4IGH
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BU of 4igh by Molmil
High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog
分子名称: 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ...
著者Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K.
登録日2012-12-17
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity.
ACS MED.CHEM.LETT., 4, 2013
7JOV
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BU of 7jov by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ...
著者Muckelbauer, J.K.
登録日2020-08-07
公開日2020-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020

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