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3K1V
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BU of 3k1v by Molmil
Cocrystal structure of a mutant class-I preQ1 riboswitch
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, CALCIUM ION, PreQ1 riboswitch
Authors:Klein, D.J, Edwards, T.E, Ferre-D'Amare, A.R.
Deposit date:2009-09-28
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cocrystal Structure of a Class I Preq1 Riboswitch Reveals a Pseudoknot Recognizing an Essential Hypermodified Nucleobase
Nat.Struct.Mol.Biol., 16, 2009
3K5K
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BU of 3k5k by Molmil
Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
Descriptor: 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2009-10-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
3K2I
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BU of 3k2i by Molmil
Human Acyl-coenzyme A thioesterase 4
Descriptor: Acyl-coenzyme A thioesterase 4, CHLORIDE ION, NICKEL (II) ION
Authors:Siponen, M.I, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human Acyl-coenzyme A thioesterase 4
To be Published
4DV4
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BU of 4dv4 by Molmil
Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, A914G
Descriptor: 16S rRNA, MAGNESIUM ION, ZINC ION, ...
Authors:Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2012-02-22
Release date:2013-02-27
Method:X-RAY DIFFRACTION (3.651 Å)
Cite:A structural basis for streptomycin resistance
To be Published
3JCL
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BU of 3jcl by Molmil
Cryo-electron microscopy structure of a coronavirus spike glycoprotein trimer
Descriptor: Spike glycoprotein
Authors:Walls, A.C, Tortorici, M.A, Bosch, B.J, Frenz, B, Rottier, P.J.M, DiMaio, F, Rey, F.A, Veesler, D.
Deposit date:2015-12-21
Release date:2016-02-03
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-electron microscopy structure of a coronavirus spike glycoprotein trimer.
Nature, 531, 2016
3J6T
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BU of 3j6t by Molmil
Cryo-EM structure of Dengue virus serotype 3 at 37 degrees C
Descriptor: envelope protein, membrane protein
Authors:Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M.
Deposit date:2014-03-25
Release date:2015-03-04
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7 Å)
Cite:A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins.
Nat Commun, 6, 2015
3JCA
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BU of 3jca by Molmil
Core model of the Mouse Mammary Tumor Virus intasome
Descriptor: 5'-D(*AP*AP*TP*GP*CP*CP*GP*CP*AP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*CP*TP*G)-3', 5'-D(*CP*AP*GP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*TP*GP*CP*GP*GP*CP*A)-3', Integrase, ...
Authors:Lyumkis, D.L, Ballandras-Colas, A, Brown, M, Cook, N.J, Dewdney, T.G, Demeler, B, Cherepanov, P, Engelman, A.N.
Deposit date:2015-11-24
Release date:2016-02-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
4DUY
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BU of 4duy by Molmil
Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, U13C
Descriptor: 16S rRNA, MAGNESIUM ION, ZINC ION, ...
Authors:Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2012-02-22
Release date:2013-02-27
Method:X-RAY DIFFRACTION (3.386 Å)
Cite:A structural basis for streptomycin resistance
To be Published
4DR1
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BU of 4dr1 by Molmil
Crystal structure of the apo 30S ribosomal subunit from Thermus thermophilus (HB8)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2012-02-16
Release date:2012-11-14
Last modified:2013-01-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A structural basis for streptomycin-induced misreading of the genetic code.
Nat Commun, 4, 2013
3K92
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BU of 3k92 by Molmil
Crystal structure of a E93K mutant of the majour Bacillus subtilis glutamate dehydrogenase RocG
Descriptor: DI(HYDROXYETHYL)ETHER, NAD-specific glutamate dehydrogenase
Authors:Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J.
Deposit date:2009-10-15
Release date:2010-06-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties
J.Mol.Biol., 400, 2010
3K8Z
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BU of 3k8z by Molmil
Crystal Structure of Gudb1 a decryptified secondary glutamate dehydrogenase from B. subtilis
Descriptor: NAD-specific glutamate dehydrogenase
Authors:Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J.
Deposit date:2009-10-15
Release date:2010-06-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties
J.Mol.Biol., 400, 2010
3J1Q
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BU of 3j1q by Molmil
Structure of AAV-DJ, a Retargeted Gene Therapy Vector: Cryo-Electron Microscopy at 4.5A resolution
Descriptor: Adeno-associated virus DJ
Authors:Lerch, T.F, O'Donnell, J.K, Meyer, N.L, Xie, Q, Taylor, K.A, Stagg, S.M, Chapman, M.S.
Deposit date:2012-04-30
Release date:2012-08-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of AAV-DJ, a retargeted gene therapy vector: cryo-electron microscopy at 4.5 A resolution.
Structure, 20, 2012
7A2D
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BU of 7a2d by Molmil
Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site
Descriptor: Uncharacterized protein YraP
Authors:Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R.
Deposit date:2020-08-17
Release date:2020-12-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation.
Elife, 9, 2020
4V5D
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BU of 4v5d by Molmil
Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A- and P-site tRNAs, and E-site tRNA.
Descriptor: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V.
Deposit date:2009-03-24
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Insights into substrate stabilization from snapshots of the peptidyl transferase center of the intact 70S ribosome.
Nat. Struct. Mol. Biol., 16, 2009
4V5C
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BU of 4v5c by Molmil
Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A-site tRNA, deacylated P-site tRNA, and E-site tRNA.
Descriptor: 16S ribosomal RNA, 23S Ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V.
Deposit date:2009-03-24
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Insights Into Substrate Stabilization from Snapshots of the Peptidyl Transferase Center of the Intact 70S Ribosome
Nat.Struct.Mol.Biol., 16, 2009
6ZTQ
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BU of 6ztq by Molmil
Cryo-EM structure of respiratory complex I from Mus musculus inhibited by piericidin A at 3.0 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
Deposit date:2020-07-20
Release date:2020-10-21
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
3JD6
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BU of 3jd6 by Molmil
Double octamer structure of retinoschisin, a cell-cell adhesion protein of the retina
Descriptor: Retinoschisin
Authors:Tolun, G, Vijayasarathy, C, Huang, R, Zeng, Y, Li, Y, Steven, A.C, Sieving, P.A, Heymann, J.B.
Deposit date:2016-04-12
Release date:2016-05-11
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Paired octamer rings of retinoschisin suggest a junctional model for cell-cell adhesion in the retina.
Proc.Natl.Acad.Sci.USA, 113, 2016
4V8Y
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BU of 4v8y by Molmil
Cryo-EM reconstruction of the 80S-eIF5B-Met-itRNAMet Eukaryotic Translation Initiation Complex
Descriptor: 18S RIBOSOMAL RNA, 25S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN S0-A, ...
Authors:Fernandez, I.S, Bai, X.C, Hussain, T, Kelley, A.C, Lorsch, J.R, Ramakrishnan, V, Scheres, S.H.W.
Deposit date:2013-07-20
Release date:2014-07-09
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Molecular architecture of a eukaryotic translational initiation complex.
Science, 342, 2013
6NJF
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BU of 6njf by Molmil
Solution NMR Structure of DANCER3-F34A, a rigid and natively folded single mutant of the dynamic protein DANCER-3
Descriptor: Immunoglobulin G-binding protein G
Authors:Damry, A.M, Mayer, M.M, Goto, N.K, Chica, R.A.
Deposit date:2019-01-03
Release date:2019-08-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Origin of conformational dynamics in a globular protein.
Commun Biol, 2, 2019
7M2N
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BU of 7m2n by Molmil
Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ...
Authors:Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T.
Deposit date:2021-03-17
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
3K4P
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BU of 3k4p by Molmil
Aspergillus niger Phytase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A
Authors:Oakley, A.J.
Deposit date:2009-10-06
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of Aspergillus niger phytase PhyA in complex with a phytate mimetic
Biochem.Biophys.Res.Commun., 397, 2010
6OP6
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BU of 6op6 by Molmil
Structure of VIM-20 in the reduced state
Descriptor: Metallo-beta-lactamase VIM-20, SODIUM ION, ZINC ION
Authors:Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C.
Deposit date:2019-04-24
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
3JA6
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BU of 3ja6 by Molmil
Cryo-electron Tomography and All-atom Molecular Dynamics Simulations Reveal a Novel Kinase Conformational Switch in Bacterial Chemotaxis Signaling
Descriptor: Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein 2
Authors:Cassidy, C.K, Himes, B.A, Alvarez, F.J, Ma, J, Zhao, G, Perilla, J.R, Schulten, K, Zhang, P.
Deposit date:2015-04-21
Release date:2015-12-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (12.7 Å)
Cite:CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling.
Elife, 4, 2015
6OPO
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BU of 6opo by Molmil
Symmetric model of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with DDM
Descriptor: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2019-04-25
Release date:2020-10-21
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
6O9U
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BU of 6o9u by Molmil
KirBac3.1 at a resolution of 2 Angstroms
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3,3',3''-phosphoryltripropanoic acid, BARIUM ION, ...
Authors:Gulbis, J.M, Clarke, O.B.
Deposit date:2019-03-15
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020

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