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5W3N
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Molecular structure of FUS low sequence complexity domain protein fibrils
Descriptor: RNA-binding protein FUS
Authors:Murray, D.T, Kato, M, Lin, Y, Thurber, K, Hung, I, McKnight, S, Tycko, R.
Deposit date:2017-06-08
Release date:2017-09-27
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure of FUS Protein Fibrils and Its Relevance to Self-Assembly and Phase Separation of Low-Complexity Domains.
Cell, 171, 2017
7Z0S
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BU of 7z0s by Molmil
Structure of the Escherichia coli formate hydrogenlyase complex (anaerobic preparation, without formate dehydrogenase H)
Descriptor: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, CARBONMONOXIDE-(DICYANO) IRON, CARDIOLIPIN, ...
Authors:Steinhilper, R, Murphy, B.J.
Deposit date:2022-02-23
Release date:2022-09-28
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure of the membrane-bound formate hydrogenlyase complex from Escherichia coli.
Nat Commun, 13, 2022
2G6Q
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BU of 2g6q by Molmil
Crystal structure of ING2 PHD finger in complex with H3K4Me3 peptide
Descriptor: H3K4Me3 peptide, Inhibitor of growth protein 2, ZINC ION
Authors:Pena, P.V, Zhao, R, Kutateladze, T.G.
Deposit date:2006-02-24
Release date:2006-07-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism of histone H3K4me3 recognition by plant homeodomain of ING2.
Nature, 442, 2006
7YV7
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BU of 7yv7 by Molmil
Cryo-EM structure of expanded coxsackievirus A16 empty particle in complex with antibody 9B5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-08-18
Release date:2022-10-19
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
3KQN
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BU of 3kqn by Molmil
Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal a Ratchet Translocation Mechanism
Descriptor: 5'-D(*TP*TP*TP*TP*TP*T)-3', ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Gu, M, Rice, C.M.
Deposit date:2009-11-17
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Three conformational snapshots of the hepatitis C virus NS3 helicase reveal a ratchet translocation mechanism.
Proc.Natl.Acad.Sci.USA, 107, 2010
2MDK
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BU of 2mdk by Molmil
NMR Solution Structure of MSP-P56S Domain/VAPB in DPC
Descriptor: Vesicle-associated membrane protein-associated protein B/C
Authors:Qin, H, Lim, L, Song, J.
Deposit date:2013-09-11
Release date:2013-10-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:MSP-P56S Domain, VAPB in DPC
To be Published
3KQU
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BU of 3kqu by Molmil
Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal a Ratchet Translocation Mechanism
Descriptor: 5'-D(*T*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Gu, M, Rice, C.M.
Deposit date:2009-11-17
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inaugural Article: Three conformational snapshots of the hepatitis C virus NS3 helicase reveal a ratchet translocation mechanism.
Proc.Natl.Acad.Sci.USA, 107, 2010
7YV2
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BU of 7yv2 by Molmil
Cryo-EM structure of expanded coxsackievirus A16 empty particle after incubation with 8C4 antibody
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-08-18
Release date:2022-10-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Molecular mechanism of antibody neutralization of coxsackievirus A16.
Nat Commun, 13, 2022
4OCJ
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BU of 4ocj by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SODIUM ION
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCU
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N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SULFATE ION
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
7JTI
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BU of 7jti by Molmil
Interphotoreceptor retinoid-binding protein (IRBP) in complex with a monoclonal antibody (F3F5 mAb5)
Descriptor: Retinol-binding protein 3, mAb5 Fab heavy chain, mAb5 Fab light chain
Authors:Sears, A.E, Albiez, S, Gulati, S, Wang, B, Kiser, P, Kovacik, L, Engel, A, Stahlberg, H, Palczewski, K.
Deposit date:2020-08-17
Release date:2020-10-07
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Single particle cryo-EM of the complex between interphotoreceptor retinoid-binding protein and a monoclonal antibody.
Faseb J., 34, 2020
5W89
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BU of 5w89 by Molmil
Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-18
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-18
Authors:Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5WHL
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BU of 5whl by Molmil
Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid
Descriptor: HYDROXYPHENYL PROPIONIC ACID, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-17
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WHR
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BU of 5whr by Molmil
Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.
Descriptor: (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A.
Deposit date:2017-07-18
Release date:2017-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
5WIH
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BU of 5wih by Molmil
Structure of New Delhi Metallo-Beta-lactamase 12 (NDM-12)
Descriptor: Metallo-beta-lactamase NDM-12, ZINC ION
Authors:VanPelt, J, Williams, C, Page, R.C.
Deposit date:2017-07-19
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Clinical Variants of New Delhi Metallo-beta-Lactamase Are Evolving To Overcome Zinc Scarcity.
Acs Infect Dis., 3, 2017
5WA4
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BU of 5wa4 by Molmil
Pyridine synthase, TbtD, from thiomuracin biosynthesis bound to an N-terminal leader peptide fragment
Descriptor: Pyridine synthase TbtD, TbtA 16-mer peptide
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-24
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4OG4
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BU of 4og4 by Molmil
Human menin with bound inhibitor MIV-3S
Descriptor: 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
5WIY
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BU of 5wiy by Molmil
Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
Descriptor: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-20
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WJ9
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BU of 5wj9 by Molmil
Human TRPML1 channel structure in agonist-bound open conformation
Descriptor: 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1
Authors:Schmiege, P, Li, X.
Deposit date:2017-07-21
Release date:2017-10-18
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Human TRPML1 channel structures in open and closed conformations.
Nature, 550, 2017
3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
Descriptor: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-02
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
4OH2
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BU of 4oh2 by Molmil
Crystal Structure of Cu/Zn Superoxide Dismutase I149T
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Crane, B.R, Merz, G.E.
Deposit date:2014-01-16
Release date:2014-10-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.384 Å)
Cite:Copper-Based Pulsed Dipolar ESR Spectroscopy as a Probe of Protein Conformation Linked to Disease States.
Biophys.J., 107, 2014
3KXG
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BU of 3kxg by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
Descriptor: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
5W7E
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BU of 5w7e by Molmil
Murine acyloxyacyl hydrolase (AOAH), S262A mutant, with dimyristoyl phosphatidylcholine
Descriptor: (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acyloxyacyl hydrolase, ...
Authors:Gorelik, A, Illes, K, Nagar, B.
Deposit date:2017-06-19
Release date:2018-01-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the mammalian lipopolysaccharide detoxifier.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7KA4
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BU of 7ka4 by Molmil
Aldolase, rabbit muscle (beam-tilt refinement x4)
Descriptor: Fructose-bisphosphate aldolase A
Authors:Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
2G62
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BU of 2g62 by Molmil
Crystal structure of human PTPA
Descriptor: GLYCEROL, SULFATE ION, protein phosphatase 2A, ...
Authors:Magnusdottir, A, Stenmark, P, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Hogbom, M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P.
Deposit date:2006-02-24
Release date:2006-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of a human PP2A phosphatase activator reveals a novel fold and highly conserved cleft implicated in protein-protein interactions.
J.Biol.Chem., 281, 2006

224572

數據於2024-09-04公開中

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