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5L2Z
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BU of 5l2z by Molmil
Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid
分子名称: 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ...
著者Wei, A.
登録日2016-08-02
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
分子名称: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
著者Wang, X, Wang, N.
登録日2020-08-29
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWL
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BU of 7cwl by Molmil
SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
著者Wang, X, Wang, N.
登録日2020-08-29
公開日2021-01-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWM
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BU of 7cwm by Molmil
Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
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, P17 heavy chain, ...
著者Wang, N, Wang, X.
登録日2020-08-29
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
5U6J
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BU of 5u6j by Molmil
Factor VIIa in complex with the inhibitor 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide
分子名称: 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide, CALCIUM ION, Coagulation factor VII Heavy Chain, ...
著者Wei, A.
登録日2016-12-08
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Neutral macrocyclic factor VIIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4GL5
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BU of 4gl5 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG029 (compound 4)
分子名称: (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
著者Ghosh, D.
登録日2012-08-13
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
5W3M
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BU of 5w3m by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:1, full particle)
分子名称: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
著者Liu, Y, Dong, Y, Rossmann, M.G.
登録日2017-06-08
公開日2017-07-12
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4GL7
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BU of 4gl7 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG046 (compound 5)
分子名称: (6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
著者Ghosh, D.
登録日2012-08-13
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
5VEB
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BU of 5veb by Molmil
Crystal structure of a Fab binding to extracellular domain 5 of Cadherin-6
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Cadherin-6, anti-CDH6 Fab heavy chain, ...
著者Zhu, X, Bialucha, C.U, London, A, Clark, K, Hu, T.
登録日2017-04-04
公開日2017-06-07
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery and Optimization of HKT288, a Cadherin-6-Targeting ADC for the Treatment of Ovarian and Renal Cancers.
Cancer Discov, 7, 2017
5W3O
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BU of 5w3o by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:3, empty particle)
分子名称: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
著者Liu, Y, Dong, Y, Rossmann, M.G.
登録日2017-06-08
公開日2017-07-12
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W3L
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BU of 5w3l by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (4 degrees Celsius, molar ratio 1:3, full particle)
分子名称: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
著者Liu, Y, Dong, Y, Rossmann, M.G.
登録日2017-06-08
公開日2017-07-12
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W3E
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BU of 5w3e by Molmil
CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:3, full particle)
分子名称: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ...
著者Liu, Y, Dong, Y, Rossmann, M.G.
登録日2017-06-07
公開日2017-07-12
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3S7S
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BU of 3s7s by Molmil
Crystal structure of human placental aromatase complexed with breast cancer drug exemestane
分子名称: (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
著者Ghosh, D.
登録日2011-05-26
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
3S79
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BU of 3s79 by Molmil
Human placental aromatase cytochrome P450 (CYP19A1) refined at 2.75 angstrom
分子名称: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
著者Ghosh, D.
登録日2011-05-26
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
4I0P
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BU of 4i0p by Molmil
HLA-DO in complex with HLA-DM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Guce, A.I, Mortimer, S.E, Stern, L.J.
登録日2012-11-18
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献HLA-DO acts as a substrate mimic to inhibit HLA-DM by a competitive mechanism.
Nat.Struct.Mol.Biol., 20, 2013
7TVA
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BU of 7tva by Molmil
Stat5a Core in complex with AK2292
分子名称: DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.835 Å)
主引用文献A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
7TVB
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BU of 7tvb by Molmil
Stat5A Core in Complex with AK305
分子名称: GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A
著者Meagher, J.L, Stuckey, J.A.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
7XR3
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BU of 7xr3 by Molmil
3.4 Angstrom cryoEM D5 reconstruction of mud crab reovirus
分子名称: VP1, VP3
著者Zhang, Q.F, Gao, Y.Z.
登録日2022-05-09
公開日2023-04-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The structure of a 12-segmented dsRNA reovirus: New insights into capsid stabilization and organization.
Plos Pathog., 19, 2023
7XR2
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BU of 7xr2 by Molmil
3.1 Angstrom cryoEM icosahedral reconstruction of mud crab reovirus
分子名称: VP11, VP12, VP3
著者Zhang, Q, Gao, Y.
登録日2022-05-09
公開日2023-04-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The structure of a 12-segmented dsRNA reovirus: New insights into capsid stabilization and organization.
Plos Pathog., 19, 2023
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
4PL6
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BU of 4pl6 by Molmil
Structure of the chromodomain of MRG2 in complex with H3K4me3
分子名称: At1g02740, H3K4me3
著者Liu, Y.C, Huang, Y.
登録日2014-05-16
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
4NG9
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BU of 4ng9 by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-11-01
公開日2014-01-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4KQ8
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BU of 4kq8 by Molmil
Structure of Recombinant Human Cytochrome P450 Aromatase
分子名称: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
著者Ghosh, D, Di Nardo, G, Griswold, J.
登録日2013-05-14
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Structural basis for the functional roles of critical residues in human cytochrome p450 aromatase.
Biochemistry, 52, 2013

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