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5WFY
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BU of 5wfy by Molmil
Crystal structure of DNA-binding domain of the bacteriophage T4 ligase
Descriptor: DNA ligase, GLYCEROL
Authors:Shi, K, Aihara, H.
Deposit date:2017-07-13
Release date:2018-09-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:T4 DNA ligase structure reveals a prototypical ATP-dependent ligase with a unique mode of sliding clamp interaction.
Nucleic Acids Res., 46, 2018
5WG7
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BU of 5wg7 by Molmil
Human Carbonic Anhydrase II complexed with AceK
Descriptor: Acesulfame, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R.
Deposit date:2017-07-13
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
4V64
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BU of 4v64 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with hygromycin B.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Borovinskaya, M.A, Shoji, S, Fredrick, K, Cate, J.H.D.
Deposit date:2008-06-11
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for hygromycin B inhibition of protein biosynthesis
Rna, 14, 2008
5W8C
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BU of 5w8c by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA and isovaleryl-CoA
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Autoinducer synthase, CHLORIDE ION, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2017-06-21
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8D
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BU of 5w8d by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Autoinducer synthase, GLYCEROL
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2017-06-21
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
4V7Q
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BU of 4v7q by Molmil
Atomic model of an infectious rotavirus particle
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Core scaffold protein, ...
Authors:Settembre, E.C, Chen, J.Z, Dormitzer, P.R, Grigorieff, N, Harrison, S.C.
Deposit date:2010-05-13
Release date:2014-07-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic model of an infectious rotavirus particle.
Embo J., 30, 2011
5W93
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BU of 5w93 by Molmil
p130Cas complex with paxillin LD1
Descriptor: Breast cancer anti-estrogen resistance protein 1, Paxillin
Authors:Miller, D.J, Zheng, J.J.
Deposit date:2017-06-22
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural and functional insights into the interaction between the Cas family scaffolding protein p130Cas and the focal adhesion-associated protein paxillin.
J. Biol. Chem., 292, 2017
5M0T
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BU of 5m0t by Molmil
Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH, FE (II) ION, ...
Authors:Jakubczyk, D, Caputi, L, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
Deposit date:2016-10-05
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of EasH (Aspergillus japonicus) - an oxidase involved in cycloclavine biosynthesis.
Chem. Commun. (Camb.), 52, 2016
5WC3
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BU of 5wc3 by Molmil
SpoIIIAG
Descriptor: SpoIIIAG, Stage III sporulation engulfment assemblyprotein
Authors:Zeytuni, N, Hong, C, Worrall, L.J, Huang, R.K, Yu, Z, Strynadka, N.C.J.
Deposit date:2017-06-29
Release date:2017-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Near-atomic resolution cryoelectron microscopy structure of the 30-fold homooligomeric SpoIIIAG channel essential to spore formation in Bacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WIN
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BU of 5win by Molmil
JAK2 Pseudokinase in complex with JNJ7706621
Descriptor: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
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:2024-11-06
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Human TRPML1 channel structures in open and closed conformations.
Nature, 550, 2017
5M4J
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BU of 5m4j by Molmil
Crystal Structure of Wild-Type Human Prolidase with GlyPro ligand
Descriptor: GLYCEROL, GLYCINE, PROLINE, ...
Authors:Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H.
Deposit date:2016-10-18
Release date:2017-07-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017
5WLN
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BU of 5wln by Molmil
Cryo-EM structure of the T2SS secretin XcpQ from Pseudomonas aeruginosa
Descriptor: Type II secretion system protein D
Authors:Hay, I.D, Belousoff, M.J, Lithgow, T.J.
Deposit date:2017-07-27
Release date:2017-10-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structural Basis of Type 2 Secretion System Engagement between the Inner and Outer Bacterial Membranes.
MBio, 8, 2017
4V4I
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BU of 4v4i by Molmil
Crystal Structure of a 70S Ribosome-tRNA Complex Reveals Functional Interactions and Rearrangements.
Descriptor: 16S SMALL SUBUNIT RIBOSOMAL RNA, 23S LARGE SUBUNIT RIBOSOMAL RNA, 30S ribosomal protein S10, ...
Authors:Korostelev, A, Trakhanov, S, Laurberg, M, Noller, H.F.
Deposit date:2007-02-15
Release date:2014-07-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Crystal Structure of a 70S Ribosome-tRNA Complex Reveals Functional Interactions and Rearrangements
Cell(Cambridge,Mass.), 126, 2006
5WNM
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BU of 5wnm by Molmil
Crystal structure of murine receptor-interacting protein 4 (Ripk4) D143N bound to tozasertib (VX-680)
Descriptor: CHLORIDE ION, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Receptor-interacting serine/threonine-protein kinase 4
Authors:Huang, C.S, Hymowitz, S.G.
Deposit date:2017-08-01
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
8GZ2
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BU of 8gz2 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin
Descriptor: (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ...
Authors:Li, Y, Jiang, D.
Deposit date:2022-09-24
Release date:2023-03-08
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
4V5Y
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BU of 4v5y by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with paromomycin and ribosome recycling factor (RRF).
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D.
Deposit date:2007-06-19
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.45 Å)
Cite:Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
8GZ1
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BU of 8gz1 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2,apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Sodium channel protein type 8 subunit alpha, ...
Authors:Li, Y, Jiang, D.
Deposit date:2022-09-24
Release date:2023-03-08
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
5WQV
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BU of 5wqv by Molmil
Crystal structure of PriB mutant - S55A
Descriptor: Primosomal replication protein N
Authors:Fujiyama, S, Shiroishi, M, Katayama, T, Abe, Y, Ueda, T.
Deposit date:2016-11-28
Release date:2017-11-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Insight into the interaction between PriB and DnaT on bacterial DNA replication restart: Significance of the residues on PriB dimer interface and highly acidic region on DnaT.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
5WR2
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BU of 5wr2 by Molmil
Thermolysin, SFX liganded form with oil-based carrier
Descriptor: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ...
Authors:Kunishima, N, Naitow, H, Matsuura, Y.
Deposit date:2016-11-29
Release date:2017-08-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
5WR9
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BU of 5wr9 by Molmil
Crystal structure of hen egg-white lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
5WK9
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BU of 5wk9 by Molmil
R186AP450cam with CN and camphor
Descriptor: CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ...
Authors:Poulos, T.L, Batabyal, D.
Deposit date:2017-07-24
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.
J. Am. Chem. Soc., 139, 2017
6V9U
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BU of 6v9u by Molmil
Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 14c
Descriptor: 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2019-12-16
Release date:2020-08-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of Potent and Orally Bioavailable Small Molecule Antagonists of Toll-like Receptors 7/8/9 (TLR7/8/9).
Acs Med.Chem.Lett., 11, 2020

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数据于2025-10-15公开中

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