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2XC1
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BU of 2xc1 by Molmil
Full-length Tailspike Protein Mutant Y108W of Bacteriophage P22
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, ...
Authors:Mueller, J.J, Seul, A, Seckler, R, Heinemann, U.
Deposit date:2010-04-15
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Bacteriophage P22 Tailspike: Structure of the Complete Protein and Function of the Interdomain Linker
Acta Crystallogr.,Sect.D, 70, 2014
8G0D
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Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 2 (backbone model)
Descriptor: (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Courbon, G.M, Rubinstein, J.L.
Deposit date:2023-01-31
Release date:2023-02-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines.
Embo J., 42, 2023
4Z6D
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Structure of human DNA polymerase beta 279NA mutant complexed with G in the template base paired with incoming non-hydrolyzable TTP
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2015-04-04
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Insights into the effect of minor groove interactions and metal cofactors on mutagenic replication by human DNA polymerase beta.
Biochem. J., 475, 2018
8TRG
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BU of 8trg by Molmil
Structure of full-length LexA bound to a RecA filament
Descriptor: DNA (27-MER), LexA repressor, MAGNESIUM ION, ...
Authors:Cory, M.B, Li, A, Kohli, R.M.
Deposit date:2023-08-09
Release date:2023-11-15
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:The LexA-RecA* structure reveals a cryptic lock-and-key mechanism for SOS activation.
Nat.Struct.Mol.Biol., 31, 2024
4Z6L
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BU of 4z6l by Molmil
Structure of H200E variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum at 1.65 Ang resolution
Descriptor: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
6WP1
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BU of 6wp1 by Molmil
The Crystal Structure of Apo Domain-Swapped Trimer Q108K:K40L:T51K Variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-26
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
4Z6Z
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Structure of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-sulfonyl catechol at 1.52 Ang resolution
Descriptor: 3,4-dihydroxybenzenesulfonic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CALCIUM ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
1NLF
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BU of 1nlf by Molmil
Crystal Structure of DNA Helicase RepA in complex with sulfate at 1.95 A resolution
Descriptor: Regulatory protein repA, SULFATE ION
Authors:Xu, H, Strater, N, Schroeder, W, Bottcher, C, Ludwig, K, Saenger, W.
Deposit date:2003-01-07
Release date:2003-04-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of DNA helicase RepA in complex with sulfate at 1.95 A resolution implicates structural changes to an "open" form.
Acta Crystallogr.,Sect.D, 59, 2003
4OH1
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BU of 4oh1 by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (gutB) from Clostridium scindens ATCC 35704 at 2.00 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, L-iditol 2-dehydrogenase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-01-16
Release date:2014-02-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative zinc-binding dehydrogenase (gutB) from Clostridium scindens ATCC 35704 at 2.00 A resolution
To be published
4GX2
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BU of 4gx2 by Molmil
GsuK channel bound to NAD
Descriptor: CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y.
Deposit date:2012-09-03
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel.
elife, 1, 2012
4GZA
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BU of 4gza by Molmil
Complex of mouse Plexin A2 - Semaphorin 3A - Neuropilin-1
Descriptor: CALCIUM ION, Neuropilin-1, Plexin-A2, ...
Authors:Janssen, B.J.C, Malinauskas, T, Siebold, C, Jones, E.Y.
Deposit date:2012-09-06
Release date:2012-10-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (7 Å)
Cite:Neuropilins lock secreted semaphorins onto plexins in a ternary signaling complex.
Nat.Struct.Mol.Biol., 19, 2012
2Y1R
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BU of 2y1r by Molmil
Structure of MecA121 & ClpC N-domain complex
Descriptor: ADAPTER PROTEIN MECA 1, NEGATIVE REGULATOR OF GENETIC COMPETENCE CLPC/MECB, S,R MESO-TARTARIC ACID
Authors:Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G.
Deposit date:2010-12-10
Release date:2011-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Structure and Mechanism of the Hexameric Meca-Clpc Molecular Machine.
Nature, 471, 2011
8G46
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BU of 8g46 by Molmil
Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2
Descriptor: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ...
Authors:Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S.
Deposit date:2023-02-08
Release date:2023-03-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
6WPA
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BU of 6wpa by Molmil
Structure of AvaR1 bound to DNA half-site
Descriptor: AvaR1, PAL2-1-5'-GC
Authors:Kapoor, I, Olivares, P.J, Nair, S.K.
Deposit date:2020-04-26
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
4GYN
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BU of 4gyn by Molmil
The E142L mutant of the amidase from Geobacillus pallidus
Descriptor: Aliphatic amidase, CHLORIDE ION
Authors:Weber, B.W, Sewell, B.T, Kimani, S.W, Varsani, A, Cowan, D.A, Hunter, R.
Deposit date:2012-09-05
Release date:2013-08-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning.
J.Biol.Chem., 288, 2013
5NVU
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BU of 5nvu by Molmil
Full length human cytoplasmic dynein-1 in the phi-particle conformation
Descriptor: Dynein intermediate chain, Dynein light intermediate chain, Dynein motor domain, ...
Authors:Zhang, K, Foster, H.E, Carter, A.P.
Deposit date:2017-05-04
Release date:2017-08-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (15 Å)
Cite:Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated.
Cell, 169, 2017
8TNS
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BU of 8tns by Molmil
Solution structure of poly(UG) RNA (GU)12 G-quadruplex
Descriptor: RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*U)-3')
Authors:Escobar, C.A, Petersen, R, Butcher, S.E.
Deposit date:2023-08-02
Release date:2023-11-15
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution Structure of Poly(UG) RNA.
J.Mol.Biol., 435, 2023
2XXW
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BU of 2xxw by Molmil
Crystal structure of the GluK2 (GluR6) D776K LBD dimer in complex with glutamate
Descriptor: CHLORIDE ION, GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, ...
Authors:Nayeem, N, Mayans, O, Green, T.
Deposit date:2010-11-12
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization
J.Neurosci., 31, 2011
6WDW
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BU of 6wdw by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Dimethylaminoethylindole Phenylhydroxamate Inhibitor
Descriptor: 4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-04-01
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
3W3G
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BU of 3w3g by Molmil
Crystal structure of human TLR8 (unliganded form)
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2012-12-21
Release date:2013-04-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
5OA4
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BU of 5oa4 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with 4-methoxycyclopeptin (1)
Descriptor: (3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Groll, M, Braeuer, A, Kaila, V.R.I.
Deposit date:2017-06-20
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
4Z9V
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BU of 4z9v by Molmil
TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL
Descriptor: BICARBONATE ION, Bcl-2-like protein 1,APOPTOSIS REGULATOR BCL-XL, SODIUM ION, ...
Authors:Cura, V, Agez, M, Thebault, S, Cavarelli, J.
Deposit date:2015-04-12
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL.
Sci Rep, 6, 2016
8GCA
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BU of 8gca by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N',N''-triacetylchitotriose at pH 4.74
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-03-01
Release date:2023-03-15
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
2Y5L
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BU of 2y5l by Molmil
orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
Descriptor: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
Authors:ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e.
Deposit date:2011-01-14
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
2Y1M
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BU of 2y1m by Molmil
Structure of native c-Cbl
Descriptor: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, ZINC ION
Authors:Dou, H, Sibbet, G.J, Huang, D.T.
Deposit date:2010-12-08
Release date:2012-01-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl.
Nat.Struct.Mol.Biol., 19, 2012

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