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6N9U
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BU of 6n9u by Molmil
Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) interacting with primase domains of two gp4 subunits bound to an RNA/DNA hybrid and dTTP (from LagS1)
Descriptor: DNA (44-MER), DNA primase/helicase, DNA-directed DNA polymerase, ...
Authors:Gao, Y, Fox, T, Val, N, Yang, W.
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures and operating principles of the replisome.
Science, 363, 2019
6N9X
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BU of 6n9x by Molmil
Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS3)
Descriptor: DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ...
Authors:Gao, Y, Fox, T, Val, N, Yang, W.
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structures and operating principles of the replisome.
Science, 363, 2019
6N7T
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BU of 6n7t by Molmil
Structure of bacteriophage T7 E343Q mutant gp4 helicase-primase in complex with ssDNA, dTTP, AC dinucleotide and CTP (form III)
Descriptor: DNA (25-MER), DNA primase/helicase, MAGNESIUM ION, ...
Authors:Gao, Y, Cui, Y, Zhou, Z, Yang, W.
Deposit date:2018-11-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures and operating principles of the replisome.
Science, 363, 2019
7WGR
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BU of 7wgr by Molmil
Cryo-electron microscopic structure of the 2-oxoglutarate dehydrogenase (E1) component of the human alpha-ketoglutarate (2-oxoglutarate) dehydrogenase complex
Descriptor: 2-oxoglutarate dehydrogenase, mitochondrial, CALCIUM ION, ...
Authors:Yu, X, Yang, W, Zhong, Y.H, Ma, X.M, Gao, Y.Z.
Deposit date:2021-12-28
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural basis for the activity and regulation of human alpha-ketoglutarate dehydrogenase revealed by Cryo-EM
Biochem.Biophys.Res.Commun., 602, 2022
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
3X0F
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BU of 3x0f by Molmil
Crystal structure of the ectodomain of mouse CD81 large extracellular loop (mCD81-LEL)
Descriptor: CD81 antigen, ISOPROPYL ALCOHOL
Authors:Zhang, M, Cui, S.
Deposit date:2014-10-14
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
3X0E
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BU of 3x0e by Molmil
Crystal structure of the ectodomain of human CD81 large extracellular loop (hCD81-LEL)
Descriptor: CD81 antigen, MAGNESIUM ION
Authors:Zhang, M, Cui, S.
Deposit date:2014-10-14
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
3X0G
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BU of 3x0g by Molmil
Crystal structure of the ectodomain of African green monkey CD81 large extracellular loop (agmCD81-LEL)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CD81
Authors:Zhang, M, Cui, S.
Deposit date:2014-10-14
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
2ZJL
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BU of 2zjl by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJK
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BU of 2zjk by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Descriptor: (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide, Beta-secretase 1
Authors:Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJM
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BU of 2zjm by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
Authors:Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
Authors:Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJH
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BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJI
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BU of 2zji by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJJ
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BU of 2zjj by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
Descriptor: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
Descriptor: T-cell-specific surface glycoprotein CD28
Authors:Li, H, Xu, C, Pan, W.
Deposit date:2015-12-23
Release date:2016-12-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
6LOM
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BU of 6lom by Molmil
Structure of CLHM1 from Caenorhabditis Elegans
Descriptor: Calcium homeostasis modulator protein
Authors:Yang, W.X, Wang, Y.W, Zhang, X.C.
Deposit date:2020-01-06
Release date:2020-07-29
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Cryo-electron microscopy structure of CLHM1 ion channel from Caenorhabditis elegans.
Protein Sci., 29, 2020
7DT1
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BU of 7dt1 by Molmil
The structure of Lactobacillus fermentum 4,6-alpha-Glucanotransferase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, W.K, Yong, Y.H, Wu, L, Chen, S, Zhou, J.H, Wu, J.
Deposit date:2021-01-04
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43002272 Å)
Cite:Characterization of a new 4,6-alpha-glucanotransferase from Limosilactobacillus fermentum NCC 3057 with ability of synthesizing low molecular mass isomalto-/maltopolysaccharide
Food Biosci, 46, 2022
3DJN
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BU of 3djn by Molmil
Crystal structure of mouse TIS21
Descriptor: Protein BTG2
Authors:Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T.
Deposit date:2008-06-24
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
5Q0G
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BU of 5q0g by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0H
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BU of 5q0h by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0D
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BU of 5q0d by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0F
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BU of 5q0f by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
3DBF
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BU of 3dbf by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562
Descriptor: 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase
Authors:Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6S8N
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BU of 6s8n by Molmil
Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide
Descriptor: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ...
Authors:Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2019-07-10
Release date:2019-09-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019

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数据于2024-06-19公开中

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