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8OTL
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BU of 8otl by Molmil
structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
Descriptor: 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ...
Authors:Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023
2MH1
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BU of 2mh1 by Molmil
Enzymatic cyclisation of kalata B1 using sortase A
Descriptor: Kalata-B1
Authors:Jia, X, Schroeder, C.I.
Deposit date:2013-11-12
Release date:2014-01-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Semienzymatic Cyclization of Disulfide-rich Peptides Using Sortase A.
J.Biol.Chem., 289, 2014
7PF1
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BU of 7pf1 by Molmil
UVC treated Human apoferritin
Descriptor: CHLORIDE ION, Ferritin heavy chain, N-terminally processed, ...
Authors:Renault, L, Depelteau, J.S, Briegel, A.
Deposit date:2021-08-11
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:UVC inactivation of pathogenic samples suitable for cryo-EM analysis.
Commun Biol, 5, 2022
8OPW
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BU of 8opw by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
2LU3
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BU of 2lu3 by Molmil
Solution NMR structure of the apo-form of the beta2 carbohydrate module of AMP-activated protein kinase
Descriptor: 5'-AMP-activated protein kinase subunit beta-2
Authors:Gooley, P, Koay, A, Stapleton, D.
Deposit date:2012-06-08
Release date:2013-06-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and carbohydrate binding of the beta2-subunit of AMP-activated protein kinase
To be Published
8OPY
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BU of 8opy by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
7SLL
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BU of 7sll by Molmil
[U:Ag+:U--pH 9.5] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7PG3
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BU of 7pg3 by Molmil
Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2
Descriptor: Insulin, Isoform Short of Insulin receptor
Authors:Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P.
Deposit date:2021-08-12
Release date:2022-02-02
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
2M8C
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BU of 2m8c by Molmil
The solution NMR structure of E. coli apo-HisJ
Descriptor: Cationic amino acid ABC transporter, periplasmic binding protein
Authors:Chu, B.C.H, Vogel, H.J.
Deposit date:2013-05-15
Release date:2013-10-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Role of the Two Structural Domains from the Periplasmic Escherichia coli Histidine-binding Protein HisJ.
J.Biol.Chem., 288, 2013
8OPD
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BU of 8opd by Molmil
Virus-like Particle based on PVY coat protein with dC40 deletion with stacked-ring architecture
Descriptor: Genome polyprotein (Fragment)
Authors:Kavcic, L, Kezar, A, Podobnik, M.
Deposit date:2023-04-07
Release date:2024-01-24
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
7AE5
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BU of 7ae5 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form
Descriptor: Phenolic acid decarboxylase, Protein ShdD, RUBIDIUM ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
5KC7
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BU of 5kc7 by Molmil
Crystal structure of Cbln1 (Val55-Gly58 deletion mutant)
Descriptor: Cerebellin-1
Authors:Elegheert, J, Aricescu, A.R.
Deposit date:2016-06-05
Release date:2016-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (7.035 Å)
Cite:Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
7S9K
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BU of 7s9k by Molmil
Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
7PV8
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BU of 7pv8 by Molmil
InlB392_T332E: T332E variant of Listeria monocytogenes InlB (internalin B) residues 36-392
Descriptor: 1,2-ETHANEDIOL, Internalin B, POTASSIUM ION
Authors:Geerds, C, Niemann, H.H.
Deposit date:2021-10-01
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
8OPL
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BU of 8opl by Molmil
Virus-like Particle based on PVY coat protein with T43C and D136C mutation with helical architecture encapsidating ssRNA
Descriptor: Genome polyprotein (Fragment), RNA (5'-R(P*UP*UP*UP*UP*U)-3')
Authors:Kavcic, L, Kezar, A, Podobnik, M.
Deposit date:2023-04-07
Release date:2024-01-24
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
3H8R
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BU of 3h8r by Molmil
Structure determination of DNA methylation lesions N1-meA and N3-meC in duplex DNA using a cross-linked host-guest system
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*CP*TP*GP*TP*AP*TP*(2YR)P*AP*TP*(6MA)P*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*TP*AP*TP*AP*AP*TP*AP*CP*A)-3', ...
Authors:Lu, L, Yi, C, Jian, X, Zheng, G, He, C.
Deposit date:2009-04-29
Release date:2010-03-31
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure determination of DNA methylation lesions N1-meA and N3-meC in duplex DNA using a cross-linked protein-DNA system.
Nucleic Acids Res., 38, 2010
7PE6
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BU of 7pe6 by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin
Descriptor: (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide, Acetylcholine-binding protein
Authors:Montgomery, M.G.
Deposit date:2021-08-09
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
2LZP
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BU of 2lzp by Molmil
Structure of NS2(2-32) GBVB protein
Descriptor: NS2 peptide
Authors:Montserret, R, Penin, F, Martin, A.
Deposit date:2012-10-08
Release date:2014-04-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NS2 Proteins of GB Virus B and Hepatitis C Virus Share Common Protease Activities and Membrane Topologies.
J.Virol., 88, 2014
7K11
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BU of 7k11 by Molmil
CryoEM structure of inactivated-form FATKIN domain of DNA-PK
Descriptor: DNA-dependent protein kinase catalytic subunit
Authors:Chen, X, Gellert, M, Yang, W.
Deposit date:2020-09-06
Release date:2021-01-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7AC2
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BU of 7ac2 by Molmil
Structure of Hen Egg White Lysozyme collected by rotation serial crystallography on a COC membrane at a synchrotron source
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M.
Deposit date:2020-09-09
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.507 Å)
Cite:Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7DNQ
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BU of 7dnq by Molmil
Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine, CHLORIDE ION, ...
Authors:Tiwari, S, Pal, R.K, Biswal, B.K.
Deposit date:2020-12-10
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
To Be Published
2Y8E
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BU of 2y8e by Molmil
Crystal structure of D. melanogaster Rab6 GTPase bound to GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-PROTEIN 6, ...
Authors:Walden, M, Edwards, T.A.
Deposit date:2011-02-04
Release date:2011-07-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structure of the Drosophila Melanogaster Rab6 Gtpase at 1.4 A Resolution
Acta Crystallogr.,Sect.F, 67, 2011
7PZC
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BU of 7pzc by Molmil
Cryo-EM structure of the NLRP3 decamer bound to the inhibitor CRID3
Descriptor: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
Authors:Hochheiser, I.V, Pilsl, M, Hagelueken, G, Engel, C, Geyer, M.
Deposit date:2021-10-12
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the NLRP3 decamer bound to the cytokine release inhibitor CRID3.
Nature, 604, 2022
7DQE
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BU of 7dqe by Molmil
Crystal structure of the ADP-bound mutant A(S23C)3B(N64C)3 complex from enterococcus hirae V-ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Maruyama, S, Nakamoto, K, Suzuki, K, Mizutani, K, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Murata, T.
Deposit date:2020-12-23
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:The Combination of High-Speed AFM and X-ray Crystallography Reveals Rotary Catalytic Mechanism of Shaftless V1-ATPase
To Be Published
3HA4
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BU of 3ha4 by Molmil
Crystal structure of the type one membrane protein MIX1 from Leishmania
Descriptor: CARBONATE ION, MIX1
Authors:Gorman, M.A, Walsh, P.J, Parker, M.W.
Deposit date:2009-05-01
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Leishmania major MIX protein: A scaffold protein that mediates protein-protein interactions.
Protein Sci., 20, 2011

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PDB entries from 2024-08-21

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