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4L9K
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X-ray study of human serum albumin complexed with camptothecin
分子名称: (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid, SERUM ALBUMIN
著者Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
登録日2013-06-18
公開日2013-07-24
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
4L8U
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BU of 4l8u by Molmil
X-ray study of human serum albumin complexed with 9 amino camptothecin
分子名称: (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid, MYRISTIC ACID, Serum albumin
著者Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
登録日2013-06-17
公開日2013-07-24
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
4LA0
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BU of 4la0 by Molmil
X-ray study of human serum albumin complexed with bicalutamide
分子名称: R-BICALUTAMIDE, SERUM ALBUMIN
著者Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
登録日2013-06-18
公開日2013-07-24
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
6XJA
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BU of 6xja by Molmil
Streptococcus Pneumoniae IgA1 Protease with IgA1 substrate
分子名称: Immunoglobulin A1 protease, Immunoglobulin alpha-1 heavy chain, Immunoglobulin alpha-1 light chain, ...
著者Eisenmesser, E.Z, Zheng, H.
登録日2020-06-23
公開日2021-01-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease.
Nat Commun, 11, 2020
4L9Q
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BU of 4l9q by Molmil
X-ray study of human serum albumin complexed with teniposide
分子名称: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, SERUM ALBUMIN
著者Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
登録日2013-06-18
公開日2013-07-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
6XJB
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BU of 6xjb by Molmil
IgA1 Protease
分子名称: Immunoglobulin A1 protease
著者Eisenmesser, E.Z, Zheng, H.
登録日2020-06-23
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease.
Nat Commun, 11, 2020
6K4V
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BU of 6k4v by Molmil
The solution structure of the smart chimeric peptide G6
分子名称: smart chimeric peptide G6
著者Wang, J.H, Liu, X.H.
登録日2019-05-27
公開日2019-06-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli.
Commun Biol, 3, 2020
6K4W
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BU of 6k4w by Molmil
smart chimeric peptide SCP-A6
分子名称: SCP-A6
著者Wang, J.H, Liu, X.H.
登録日2019-05-27
公開日2019-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli.
Commun Biol, 3, 2020
7XAF
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BU of 7xaf by Molmil
The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide
分子名称: 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2022-03-17
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.001182 Å)
主引用文献Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
8K3S
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BU of 8k3s by Molmil
Structure of PKD2-F604P complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ...
著者Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y.
登録日2023-07-16
公開日2024-04-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands.
Proc.Natl.Acad.Sci.USA, 121, 2024
8HOK
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BU of 8hok by Molmil
crystal structure of UGT71AP2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, UGT71AP2
著者Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M.
登録日2022-12-10
公開日2023-12-13
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'- O -glycosyltransferase from Scutellaria baicalensis .
Acta Pharm Sin B, 14, 2024
8HOJ
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BU of 8hoj by Molmil
Crystal structure of UGT71AP2 in complex with UDP
分子名称: UGT71AP2, URIDINE-5'-DIPHOSPHATE
著者Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M.
登録日2022-12-10
公開日2023-12-13
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'- O -glycosyltransferase from Scutellaria baicalensis .
Acta Pharm Sin B, 14, 2024
8HK7
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BU of 8hk7 by Molmil
Structure of PKD2-F604P (Polycystin-2, TRPP2) with ML-SA1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, CALCIUM ION, ...
著者Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y.
登録日2022-11-25
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands.
Proc.Natl.Acad.Sci.USA, 121, 2024
7TXZ
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BU of 7txz by Molmil
Nipah Virus attachment (G) glycoprotein ectodomain in complex with nAH1.3 neutralizing antibody Fab fragment (local refinement of the distal region)
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Wang, Z.Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-02-10
公開日2022-03-09
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Architecture and antigenicity of the Nipah virus attachment glycoprotein.
Science, 375, 2022
7TY0
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BU of 7ty0 by Molmil
Nipah Virus attachment (G) glycoprotein ectodomain in complex with nAH1.3 neutralizing antibody Fab fragment (local refinement of the stalk region)
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Wang, Z.Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-02-10
公開日2022-03-09
最終更新日2022-04-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Architecture and antigenicity of the Nipah virus attachment glycoprotein.
Science, 375, 2022
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
8GYX
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BU of 8gyx by Molmil
Cryo-EM structure of human CEPT1
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Choline/ethanolaminephosphotransferase 1, MAGNESIUM ION
著者Qian, H.W, Wang, Z.H.
登録日2022-09-24
公開日2023-03-22
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for catalysis of human choline/ethanolamine phosphotransferase 1.
Nat Commun, 14, 2023
8GYW
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BU of 8gyw by Molmil
Cryo-EM structure of human CEPT1 complexed with CDP-choline
分子名称: Choline/ethanolaminephosphotransferase 1, MAGNESIUM ION, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM
著者Qian, H.W, Wang, Z.H.
登録日2022-09-24
公開日2023-03-22
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for catalysis of human choline/ethanolamine phosphotransferase 1.
Nat Commun, 14, 2023
8HN6
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BU of 8hn6 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
分子名称: Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1
著者Qi, J, Chen, Y.
登録日2022-12-07
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
8HN7
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BU of 8hn7 by Molmil
Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ...
著者Qi, J, Chen, Y.
登録日2022-12-07
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
7JGJ
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BU of 7jgj by Molmil
IgA1 Protease in complex with neutralizing mAb
分子名称: Immunoglobulin A1 protease, mAB Heavy Chain, mAB Light Chain
著者Eisenmesser, E.Z, Zheng, H.
登録日2020-07-19
公開日2020-12-09
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease
Nat Commun, 11, 2020
7KDE
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BU of 7kde by Molmil
BG505 SOSIP.664 in complex with the V3-targeting rhesus macaque antibody 1485 and human gp120-gp41 interface antibody 8ANC195
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Barnes, C.O, Bjorkman, P.J.
登録日2020-10-08
公開日2020-10-28
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献A broadly neutralizing macaque monoclonal antibody against the HIV-1 V3-Glycan patch.
Elife, 9, 2020
7CUT
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BU of 7cut by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK
分子名称: 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F.
登録日2020-08-24
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro .
Signal Transduct Target Ther, 6, 2021
7CUU
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BU of 7cuu by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132
分子名称: 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F.
登録日2020-08-24
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro .
Signal Transduct Target Ther, 6, 2021
7UAP
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BU of 7uap by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the neutralizing antibody Fab fragment, C1520
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, C1520 Fab Heavy Chain, ...
著者Barnes, C.O.
登録日2022-03-13
公開日2022-04-27
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Analysis of memory B cells identifies conserved neutralizing epitopes on the N-terminal domain of variant SARS-Cov-2 spike proteins.
Immunity, 55, 2022

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件を2024-09-25に公開中

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