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7FAJ
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BU of 7faj by Molmil
CARM1 bound with compound 43
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2450726 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
7FAI
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BU of 7fai by Molmil
CARM1 bound with compound 9
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09749269 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
4O2D
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BU of 4o2d by Molmil
Crystal structure of aspartyl-tRNA synthetase from Mycobacterium smegmatis with bound aspartic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, Aspartate--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-17
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
著者Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
登録日2018-09-22
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
7EPZ
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BU of 7epz by Molmil
Overall structure of Erastin-bound xCT-4F2hc complex
分子名称: 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q.
登録日2021-04-28
公開日2022-04-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Zhu, S.J, Yan, X.E.
登録日2019-04-25
公開日2020-04-29
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
5O2E
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BU of 5o2e by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement
分子名称: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2017-05-20
公開日2018-12-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
4LGV
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BU of 4lgv by Molmil
X-ray crystal structure of Glucose-6-phosphate 1-dehydrogenase from Mycobacterium avium
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-06-28
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
5Z4Y
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BU of 5z4y by Molmil
Crystal structure of PaCysB NTD domain with space group P4
分子名称: Cys regulon transcriptional activator, GLYCEROL
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-18
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
7FI4
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BU of 7fi4 by Molmil
Structure of AcrIF13
分子名称: AcrIF13
著者Feng, Y, Gao, T.
登録日2021-07-30
公開日2022-07-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
2NDI
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BU of 2ndi by Molmil
Solution structure of the toxin ISTX-I from Ixodes scapularis
分子名称: Putative secreted salivary protein
著者Hu, K.
登録日2016-06-01
公開日2017-06-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A sodium channel inhibitor ISTX-I with a novel structure provides a new hint at the evolutionary link between two toxin folds.
Sci Rep, 6, 2016
3R1G
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BU of 3r1g by Molmil
Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody
分子名称: Beta-secretase 1, FAB of YW412.8.31 antibody heavy chain, FAB of YW412.8.31 antibody light chain
著者Wang, W, Rouge, L, Wu, P, Chiu, C, Chen, Y, Wu, Y, Watts, R.J.
登録日2011-03-10
公開日2011-06-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Therapeutic Antibody Targeting BACE1 Inhibits Amyloid-{beta} Production in Vivo.
Sci Transl Med, 3, 2011
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
分子名称: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
著者Zhang, H, Sun, Z.Y.
登録日2016-12-21
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
7Y0W
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BU of 7y0w by Molmil
Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5514H, BD55-5514L, ...
著者Zhang, Z, Xiao, J.
登録日2022-06-06
公開日2022-09-28
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
5ZNS
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BU of 5zns by Molmil
Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
5O2F
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BU of 5o2f by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2017-05-20
公開日2018-12-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
7CN9
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BU of 7cn9 by Molmil
Cryo-EM structure of SARS-CoV-2 Spike ectodomain
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C.
登録日2020-07-30
公開日2020-08-26
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2.
Cell Rep, 32, 2020
7WRY
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BU of 7wry by Molmil
Local structure of BD55-3546 Fab and SARS-COV2 Delta RBD complex
分子名称: BD55-3546H, BD55-3546L, Spike protein S1, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-09-28
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
5XK7
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BU of 5xk7 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with DMAPP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
7Y0C
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BU of 7y0c by Molmil
Crystal structure of BD55-1403 and SARS-CoV-2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-1403 Fab heavy chain, BD55-1403 Fab light chain, ...
著者Zhang, Z, Xiao, J.
登録日2022-06-04
公開日2022-09-28
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
5ZNT
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BU of 5znt by Molmil
Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
5Z4Z
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BU of 5z4z by Molmil
Crystal structure of PaCysB NTD domain with space group C2
分子名称: SULFATE ION, Transcriptional regulator CysB
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-15
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
6JWL
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BU of 6jwl by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with AZD9291
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Zhu, S.J, Yan, X.E.
登録日2019-04-21
公開日2020-04-22
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
7ENO
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BU of 7eno by Molmil
Mutant strain M3 of foot-and-mouth disease virus type O
分子名称: VP1 of O type FMDV capsid, VP2 of O type FMDV capsid, VP3 of O type FMDV capsid, ...
著者Dong, H, Lu, Y.
登録日2021-04-18
公開日2021-06-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献A Heat-Induced Mutation on VP1 of Foot-and-Mouth Disease Virus Serotype O Enhanced Capsid Stability and Immunogenicity.
J.Virol., 95, 2021
3C3V
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BU of 3c3v by Molmil
Crystal structure of peanut major allergen ara h 3
分子名称: Arachin Arah3 isoform, SODIUM ION
著者Jin, T, Zhang, Y.
登録日2008-01-28
公開日2009-02-24
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of Ara h 3, a major allergen in peanut.
Mol.Immunol., 46, 2009

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