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5USH
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BU of 5ush by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv66
Descriptor: Fab vv66 heavy chain, Fab vv66 light chain, IMV membrane protein
Authors:Zajonc, D.M.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
5CEQ
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BU of 5ceq by Molmil
DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile
Descriptor: 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
6BMZ
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BU of 6bmz by Molmil
Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2017-11-15
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
5YVT
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BU of 5yvt by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+) and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Ma, T, Ding, J.
Deposit date:2017-11-27
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the inhibitory mechanisms of NADH on the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 8, 2018
6BRS
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BU of 6brs by Molmil
The Crystal Structure of the Ferredoxin Protease FusC in complex with Arabidopsis Ferredoxin, Ethylmercury phosphate soaked dataset
Descriptor: Ferredoxin-2, chloroplastic, MERCURY (II) ION, ...
Authors:Grinter, R.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:FusC, a member of the M16 protease family acquired by bacteria for iron piracy against plants.
PLoS Biol., 16, 2018
2OUH
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BU of 2ouh by Molmil
Crystal structure of the Thrombospondin-1 N-terminal domain in complex with fractionated Heparin DP10
Descriptor: SULFATE ION, Thrombospondin-1
Authors:Tan, K, Joachimiak, A, Wang, J, Lawler, J.
Deposit date:2007-02-11
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain.
J.Biol.Chem., 283, 2008
3L1L
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BU of 3l1l by Molmil
Structure of Arg-bound Escherichia coli AdiC
Descriptor: ARGININE, Arginine/agmatine antiporter, nonyl beta-D-glucopyranoside
Authors:Gao, X, Zhou, L, Shi, Y.
Deposit date:2009-12-13
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Mechanism of substrate recognition and transport by an amino acid antiporter
Nature, 463, 2010
5WTJ
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BU of 5wtj by Molmil
Crystal structure of an endonuclease
Descriptor: CRISPR-associated endoribonuclease C2c2
Authors:Liu, L, Wang, Y.
Deposit date:2016-12-13
Release date:2017-02-08
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities
Cell, 168, 2017
5W0K
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BU of 5w0k by Molmil
Crystal structure of EBV gHgL/CL40/gp42 N-domain
Descriptor: CL40 IgG heavy chain, CL40 IgG light chain, Envelope glycoprotein H, ...
Authors:Sathiyamoorthy, K, Jardetzky, T.S.
Deposit date:2017-05-31
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibition of EBV-mediated membrane fusion by anti-gHgL antibodies.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6CI4
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BU of 6ci4 by Molmil
Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis soaked with UDP-4-amino-4,6-dideoxy-L-AltNAc
Descriptor: (2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, formyltransferase PseJ
Authors:Harb, I, Reimer, J.M, Schmeing, T.M.
Deposit date:2018-02-23
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.824068 Å)
Cite:Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
3FH7
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BU of 3fh7 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
Descriptor: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
5ZOV
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BU of 5zov by Molmil
Inward-facing conformation of L-ascorbate transporter UlaA
Descriptor: ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC
Authors:Wang, J.W.
Deposit date:2018-04-16
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.333 Å)
Cite:Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism
Cell Discov, 4, 2018
7LV8
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BU of 7lv8 by Molmil
Structure of the Marseillevirus nucleosome
Descriptor: DNA (123-MER), Histone doublet Beta-Alpha (Alpha), Histone doublet Beta-Alpha (Beta), ...
Authors:Valencia-Sanchez, M.I, Abini-Agbomson, S, Armache, K.-J.
Deposit date:2021-02-24
Release date:2021-05-05
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of a virus-encoded nucleosome.
Nat.Struct.Mol.Biol., 28, 2021
7LV9
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BU of 7lv9 by Molmil
Marseillevirus heterotrimeric (hexameric) nucleosome
Descriptor: DNA (96-MER), Histone doublet Beta-Alpha (Alpha), Histone doublet Beta-Alpha (Beta), ...
Authors:Valencia-Sanchez, M.I, Abini-Agbomson, S, Armache, K.-J.
Deposit date:2021-02-24
Release date:2021-05-05
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The structure of a virus-encoded nucleosome.
Nat.Struct.Mol.Biol., 28, 2021
5X26
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BU of 5x26 by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3)
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X2K
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BU of 5x2k by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with WZ4003
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Zhu, S.J, Zhao, P, Yun, C.H.
Deposit date:2017-02-01
Release date:2018-02-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
7VLX
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BU of 7vlx by Molmil
Cryo-EM structures of Listeria monocytogenes man-PTS
Descriptor: Mannose/fructose/sorbose family PTS transporter subunit IIC, PTS mannose family transporter subunit IID, alpha-D-mannopyranose
Authors:Wang, J.W.
Deposit date:2021-10-05
Release date:2021-12-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural Basis of Pore Formation in the Mannose Phosphotransferase System by Pediocin PA-1.
Appl.Environ.Microbiol., 88, 2022
7VLY
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BU of 7vly by Molmil
Cryo-EM structure of Listeria monocytogenes man-PTS complexed with pediocin PA-1
Descriptor: Bacteriocin pediocin PA-1, Mannose/fructose/sorbose family PTS transporter subunit IIC, PTS mannose family transporter subunit IID, ...
Authors:Wang, J.W.
Deposit date:2021-10-05
Release date:2021-12-01
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural Basis of Pore Formation in the Mannose Phosphotransferase System by Pediocin PA-1.
Appl.Environ.Microbiol., 88, 2022
2PNT
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BU of 2pnt by Molmil
Crystal structure of the PDZ domain of human GRASP (GRP1) in complex with the C-terminal peptide of the metabotropic glutamate receptor type 1
Descriptor: CHLORIDE ION, General receptor for phosphoinositides 1-associated scaffold protein
Authors:Elkins, J, Papagrigoriou, E, Cooper, C, Gileadi, C, Uppenberg, J, Bray, J, von Delft, F, Pike, A.C.W, Ugochukwu, E, Umeano, C, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-04-25
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
7VI9
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BU of 7vi9 by Molmil
Cryo-EM structure of bacteriophage lambda procapsid at 5.03 Angstrom
Descriptor: Major capsid protein
Authors:Wang, J.W.
Deposit date:2021-09-26
Release date:2021-12-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (5.03 Å)
Cite:Structural basis of bacteriophage lambda capsid maturation.
Structure, 30, 2022
7VII
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BU of 7vii by Molmil
cryoEM structure of bacteriophage lambda capsid at 5.6 Angstrom
Descriptor: Capsid decoration protein, Major capsid protein
Authors:Wang, J.W.
Deposit date:2021-09-27
Release date:2021-12-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Structural basis of bacteriophage lambda capsid maturation.
Structure, 30, 2022
5V2N
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BU of 5v2n by Molmil
Crystal Structure of APO Human SETD8
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
Authors:Skene, R.J.
Deposit date:2017-03-05
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
7VIA
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BU of 7via by Molmil
Focused refinement of asymmetric unit of bacteriophage lambda procapsid at 3.88 Angstrom
Descriptor: Major capsid protein
Authors:Wang, J.W.
Deposit date:2021-09-26
Release date:2021-12-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structural basis of bacteriophage lambda capsid maturation.
Structure, 30, 2022
5UKQ
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BU of 5ukq by Molmil
Structure of unliganded anti-gp120 CD4bs antibody DH522.2 Fab
Descriptor: DH522.2 Fab fragment heavy chain, DH522.2 Fab fragment light chain, GLYCEROL
Authors:Nicely, N.I.
Deposit date:2017-01-23
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
2PA1
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BU of 2pa1 by Molmil
Structure of the PDZ domain of human PDLIM2 bound to a C-terminal extension from human beta-tropomyosin
Descriptor: CHLORIDE ION, PDZ and LIM domain protein 2
Authors:Uppenberg, J, Shrestha, L, Elkins, J, Burgess-Brown, N, Salah, E, Bunkoczi, G, Papagrigoriou, E, Pike, A.C.W, Turnbull, A.P, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-03-27
Release date:2007-05-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010

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数据于2024-07-10公开中

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