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8J1I
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BU of 8j1i by Molmil
Crystal Structure of EphA8/SASH1 Complex
Descriptor: Ephrin type-A receptor 8, SAM and SH3 domain-containing protein 1
Authors:Liu, W, Li, J, Ding, Y.
Deposit date:2023-04-12
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of EphA8 and SASH1 complex at 1.60 Angstroms resolution
To Be Published
7V9A
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BU of 7v9a by Molmil
biogenesis module of human telomerase holoenzyme
Descriptor: H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ...
Authors:Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M.
Deposit date:2021-08-24
Release date:2022-03-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Zipper head mechanism of telomere synthesis by human telomerase.
Cell Res., 31, 2021
7V99
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BU of 7v99 by Molmil
catalytic core of human telomerase holoenzyme
Descriptor: Histone H2A type 1-B/E, Histone H2B type 1-K, Primer DNA, ...
Authors:Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M.
Deposit date:2021-08-24
Release date:2022-03-30
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Zipper head mechanism of telomere synthesis by human telomerase.
Cell Res., 31, 2021
4QBA
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BU of 4qba by Molmil
Crystal structure of the effector-binding domain of S. aureus CcpE
Descriptor: CHLORIDE ION, LysR family regulatory protein
Authors:Liu, X, Lan, L, Yang, C.G.
Deposit date:2014-05-06
Release date:2014-11-19
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Metabolic sensor governing bacterial virulence in Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 111, 2014
7CI0
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BU of 7ci0 by Molmil
Microbial Hormone-sensitive lipase E53 mutant S162A
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Yang, X, Li, Z, Xu, X, Li, J.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
7CIH
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BU of 7cih by Molmil
Microbial Hormone-sensitive lipase E53 mutant S285G
Descriptor: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
Authors:Yang, X, Li, Z, Xu, X, Li, J.
Deposit date:2020-07-07
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
7XOI
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BU of 7xoi by Molmil
Aspergillus sojae alpha-glucosidase AsojAgdL in complex with trehalose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
Authors:Tonozuka, T.
Deposit date:2022-05-01
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for proteolytic processing of Aspergillus sojae alpha-glucosidase L with strong transglucosylation activity.
J.Struct.Biol., 214, 2022
7W8N
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BU of 7w8n by Molmil
Microbial Hormone-sensitive lipase E53 wild type
Descriptor: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
Authors:Yang, X, Li, Z, Xu, X, Li, J.
Deposit date:2021-12-08
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
6XCJ
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BU of 6xcj by Molmil
Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ...
Authors:Raymond, D.D, Chug, H, Harrison, S.C.
Deposit date:2020-06-08
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
6XRT
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BU of 6xrt by Molmil
Cryo-EM structure of SHIV-elicited RHA1.V2.01 in complex with HIV-1 Env BG505 DS-SOSIP.664
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-07-13
Release date:2020-10-07
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
7KXT
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BU of 7kxt by Molmil
Crystal structure of human EED
Descriptor: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-12-04
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.
J.Med.Chem., 64, 2021
4N70
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BU of 4n70 by Molmil
Pim1 Complexed with a pyridylcarboxamide
Descriptor: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N6Y
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BU of 4n6y by Molmil
Pim1 Complexed with a phenylcarboxamide
Descriptor: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
2REU
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BU of 2reu by Molmil
Crystal Structure of the C-terminal of Sau3AI fragment
Descriptor: MAGNESIUM ION, Type II restriction enzyme Sau3AI
Authors:Hu, X, Yu, F, Xu, C, He, J.
Deposit date:2007-09-27
Release date:2008-09-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and function of C-terminal Sau3AI domain
Biochim.Biophys.Acta, 1794, 2009
6LCY
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BU of 6lcy by Molmil
Crystal structure of Synaptotagmin-7 C2B in complex with IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
Authors:Zhang, Y, Zhang, X, Rao, F, Wang, C.
Deposit date:2019-11-20
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
7BZJ
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BU of 7bzj by Molmil
The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase Inhibitors
Descriptor: Leucine--tRNA ligase, [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
Authors:Liu, R.J, Li, H, Wang, E.D, Zhou, H.
Deposit date:2020-04-28
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of benzhydrol-oxaborole derivatives as Streptococcus pneumoniae leucyl-tRNA synthetase inhibitors.
Bioorg.Med.Chem., 29, 2021
5JVA
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BU of 5jva by Molmil
1.95 angstrom crystal structure of TAGRFP-T
Descriptor: BETA-MERCAPTOETHANOL, SULFATE ION, TagRFP-T
Authors:Hu, X.J.
Deposit date:2016-05-11
Release date:2017-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of red fluorescent protein TagRFP-T reveals the mechanism of its superior photostability.
Biochem. Biophys. Res. Commun., 477, 2016
2MP0
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BU of 2mp0 by Molmil
Protein Phosphorylation upon a Fleeting Encounter
Descriptor: Glucose-specific phosphotransferase enzyme IIA component, PHOSPHITE ION, Phosphoenolpyruvate-protein phosphotransferase
Authors:Xing, Q, Yang, J, Huang, P, Zhang, W, Tang, C.
Deposit date:2014-05-08
Release date:2014-08-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Visualizing an ultra-weak protein-protein interaction in phosphorylation signaling.
Angew.Chem.Int.Ed.Engl., 53, 2014
7M4S
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BU of 7m4s by Molmil
Crystal structure of macrocyclase AMdnB from Anabaena sp. PCC 7120
Descriptor: AMdnB protein
Authors:Li, G, Bruner, S.D.
Deposit date:2021-03-22
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structural and biochemical studies of an iterative ribosomal peptide macrocyclase.
Proteins, 90, 2022
6M1I
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BU of 6m1i by Molmil
CryoEM structure of human PAC1 receptor in complex with PACAP38
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
6M1H
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BU of 6m1h by Molmil
CryoEM structure of human PAC1 receptor in complex with maxadilan
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
4HJE
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BU of 4hje by Molmil
Crystal structure of p53 core domain in complex with DNA
Descriptor: Cellular tumor antigen p53, DNA (5'-D(*AP*GP*GP*CP*TP*TP*GP*TP*CP*TP*CP*TP*AP*AP*CP*TP*TP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*CP*AP*AP*GP*TP*TP*AP*GP*AP*GP*AP*CP*AP*AP*GP*CP*CP*T)-3'), ...
Authors:Chen, Y, Chen, L.
Deposit date:2012-10-12
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Structure of p53 binding to the BAX response element reveals DNA unwinding and compression to accommodate base-pair insertion.
Nucleic Acids Res., 41, 2013
7T2Z
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BU of 7t2z by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with 1-methyl-5-nitroimidazole
Descriptor: 1,2-ETHANEDIOL, 1-methyl-5-nitro-1H-imidazole, ACETIC ACID, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2547 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
7T33
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BU of 7t33 by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with nicotinic acid
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Putative NAD(P)H nitroreductase, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
5DWR
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BU of 5dwr by Molmil
Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies
Descriptor: N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C, Bussiere, D, Burger, M.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015

221051

数据于2024-06-12公开中

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