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7OAD
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BU of 7oad by Molmil
conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form II
Descriptor: General control transcription factor GCN4,conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A,General control transcription factor GCN4
Authors:Adlakha, J, Albrecht, R, Hartmann, M.D.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form II
To Be Published
1KO7
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BU of 1ko7 by Molmil
X-ray structure of the HPr kinase/phosphatase from Staphylococcus xylosus at 1.95 A resolution
Descriptor: Hpr kinase/phosphatase, PHOSPHATE ION
Authors:Marquez, J.A, Hasenbein, S, Koch, B, Fieulaine, S, Nessler, S, Hengstenberg, W, Scheffzek, K.
Deposit date:2001-12-20
Release date:2002-04-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the full-length HPr kinase/phosphatase from Staphylococcus xylosus at 1.95 A resolution: Mimicking the product/substrate of the phospho transfer reactions.
Proc.Natl.Acad.Sci.USA, 99, 2002
3HDK
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BU of 3hdk by Molmil
Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-07
Release date:2010-04-28
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
1KQ8
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BU of 1kq8 by Molmil
Solution Structure of Winged Helix Protein HFH-1
Descriptor: HEPATOCYTE NUCLEAR FACTOR 3 FORKHEAD HOMOLOG 1
Authors:Sheng, W, Rance, M, Liao, X.
Deposit date:2002-01-04
Release date:2002-01-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure comparison of two conserved HNF-3/fkh proteins HFH-1 and genesis indicates the existence of folding differences in their complexes with a DNA binding sequence.
Biochemistry, 41, 2002
4MTY
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BU of 4mty by Molmil
Structure at 1A resolution of a helical aromatic foldamer-protein complex.
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y.
Deposit date:2013-09-20
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution.
Angew.Chem.Int.Ed.Engl., 53, 2014
8CN1
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BU of 8cn1 by Molmil
hDLG1-PDZ1 in complex with a TAX1 peptide from HTLV-1
Descriptor: Disks large homolog 1, GLU-THR-GLU-VAL, SULFATE ION
Authors:Maseko, S, Sogues, A, Volkov, A, Remaut, H, Twizere, J.C.
Deposit date:2023-02-21
Release date:2023-08-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction.
Antiviral Res., 217, 2023
4MUC
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BU of 4muc by Molmil
The 4th and 5th C-terminal domains of Factor H related protein 1
Descriptor: Complement factor H-related protein 1, SULFATE ION
Authors:Bhattacharjee, A, Goldman, A, Kolodziejczyk, R, Jokiranta, T.S.
Deposit date:2013-09-21
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:The Major Autoantibody Epitope on Factor H in Atypical Hemolytic Uremic Syndrome Is Structurally Different from Its Homologous Site in Factor H-related Protein 1, Supporting a Novel Model for Induction of Autoimmunity in This Disease.
J.Biol.Chem., 290, 2015
4MWB
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BU of 4mwb by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509)
Descriptor: 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
7AIG
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BU of 7aig by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
4MW9
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BU of 4mw9 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478)
Descriptor: 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
6TKQ
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BU of 6tkq by Molmil
Tankyrase 2 in complex with an inhibitor (OM-2700)
Descriptor: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
4MVX
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BU of 4mvx by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
3HG0
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BU of 3hg0 by Molmil
Crystal structure of a DARPin in complex with ORF49 from Lactococcal phage TP901-1
Descriptor: Baseplate protein, Designed Ankyrin Repeat Protein (DARPin) 20
Authors:Veesler, D, Dreier, B, Blangy, S, Lichiere, J, Tremblay, D, Moineau, S, Spinelli, S, Tegoni, M, Pluckthun, A, Campanacci, V, Cambillau, C.
Deposit date:2009-05-13
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and function of a DARPin neutralizing inhibitor of lactococcal phage TP901-1: comparison of DARPin and camelid VHH binding mode.
J.Biol.Chem., 284, 2009
3TUT
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BU of 3tut by Molmil
Crystal structure of RtcA.ATP binary complex
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Chakravarty, A.K, Smith, P, Shuman, S.
Deposit date:2011-09-18
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structures of RNA 3'-phosphate cyclase bound to ATP reveal the mechanism of nucleotidyl transfer and metal-assisted catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
7AEJ
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BU of 7aej by Molmil
Crystal structure of asymmetric HIV-1 gp41 containing all membrane anchors
Descriptor: 2H10, Envelope glycoprotein gp160,Envelope glycoprotein gp160
Authors:Caillat, C, Guilligay, D, Weissenhorn, W.
Deposit date:2020-09-17
Release date:2021-05-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of HIV-1 gp41 with its membrane anchors targeted by neutralizing antibodies.
Elife, 10, 2021
7O7G
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BU of 7o7g by Molmil
Crystal structure of the Shewanella oneidensis MR1 MtrC mutant H561M
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Edwards, M.J, van Wonderen, J.H, Newton-Payne, S.E, Butt, J.N, Clarke, T.A.
Deposit date:2021-04-13
Release date:2021-10-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nanosecond heme-to-heme electron transfer rates in a multiheme cytochrome nanowire reported by a spectrally unique His/Met-ligated heme.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ST8
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BU of 6st8 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
4MUJ
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BU of 4muj by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(benzylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
3H0J
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BU of 3h0j by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 2
Descriptor: 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase
Authors:Zhang, H, Tong, L.
Deposit date:2009-04-09
Release date:2010-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
8CRQ
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BU of 8crq by Molmil
Local refinement of Band 3-I transmembrane domains, class 1 of erythrocyte ankyrin-1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-11
Release date:2022-07-20
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
8CS9
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BU of 8cs9 by Molmil
Composite reconstruction of Class 1 of the erythrocyte ankyrin-1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, ...
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-12
Release date:2022-07-20
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
4MW6
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BU of 4mw6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476)
Descriptor: 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.558 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
3U1S
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BU of 3u1s by Molmil
Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1 neutralizing antibody
Descriptor: Fab PGT145 Heavy chain, Fab PGT145 Light chain, GLYCEROL, ...
Authors:Julien, J.-P, Diwanji, D, Burton, D.R, Wilson, I.A.
Deposit date:2011-09-30
Release date:2011-12-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
7OS4
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BU of 7os4 by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_13-31 K18
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.1, Histone-arginine methyltransferase CARM1
Authors:Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
Deposit date:2021-06-07
Release date:2021-10-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021
8CRR
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BU of 8crr by Molmil
Local refinement of Band 3-III transmembrane domains, class 1 of erythrocyte ankyrin-1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-11
Release date:2022-07-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022

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数据于2025-10-08公开中

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