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4LK0
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BU of 4lk0 by Molmil
Crystal Structure Analysis of the E.coli holoenzyme/T7 Gp2 complex
Descriptor: Bacterial RNA polymerase inhibitor, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2013-07-05
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.9103 Å)
Cite:Phage T7 Gp2 inhibition of Escherichia coli RNA polymerase involves misappropriation of sigma 70 domain 1.1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4RD2
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BU of 4rd2 by Molmil
Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDPNP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
Deposit date:2014-09-18
Release date:2015-05-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.585 Å)
Cite:Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD4
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BU of 4rd4 by Molmil
Structure of aIF2 gamma from sulfolobus solfataricus bound to gdpnp
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
Deposit date:2014-09-18
Release date:2015-05-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
2JJ2
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BU of 2jj2 by Molmil
The Structure of F1-ATPase inhibited by quercetin.
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE GAMMA CHAIN, ...
Authors:Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2007-07-03
Release date:2007-08-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Proc.Natl.Acad.Sci.USA, 104, 2007
1ZA2
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BU of 1za2 by Molmil
Structure of wild-type E. coli Aspartate Transcarbamoylase in the presence of CTP, carbamoyl phosphate at 2.50 A resolution
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Wang, J, Stieglitz, K.A, Cardia, J.P, Kantrowitz, E.R.
Deposit date:2005-04-05
Release date:2005-06-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for ordered substrate binding and cooperativity in aspartate transcarbamoylase
Proc.Natl.Acad.Sci.Usa, 102, 2005
2MXS
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BU of 2mxs by Molmil
Solution NMR-structure of the neomycin sensing riboswitch RNA bound to paromomycin
Descriptor: PAROMOMYCIN, RNA (27-MER)
Authors:Schmidtke, S, Duchardt-Ferner, E, Ohlenschlaeger, O, Gottstein, D, Wohnert, J.
Deposit date:2015-01-14
Release date:2015-12-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:What a Difference an OH Makes: Conformational Dynamics as the Basis for the Ligand Specificity of the Neomycin-Sensing Riboswitch.
Angew.Chem.Int.Ed.Engl., 55, 2016
6BEA
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BU of 6bea by Molmil
Crystal structure of the autotransporter UpaB from E. coli strain CFT073
Descriptor: Autotransporter protein UpaB, CALCIUM ION, CHLORIDE ION, ...
Authors:Paxman, J.J, Heras, B.
Deposit date:2017-10-25
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Unique structural features of a bacterial autotransporter adhesin suggest mechanisms for interaction with host macromolecules.
Nat Commun, 10, 2019
5YFI
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BU of 5yfi by Molmil
Crystal structure of the anti-human prostaglandin E receptor EP4 antibody Fab fragment
Descriptor: Heavy chain of Fab fragment, Light chain of Fab fragment, ZINC ION
Authors:Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
Deposit date:2017-09-21
Release date:2018-12-05
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
6B1E
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BU of 6b1e by Molmil
The structure of DPP4 in complex with Vildagliptin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne, ...
Authors:Scapin, G.
Deposit date:2017-09-18
Release date:2017-09-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018
6BGA
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BU of 6bga by Molmil
2B4 I-Ek TCR-MHC complex with affinity-enhancing Velcro peptide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 peptide,MHC I-Ek B chain, ...
Authors:Gee, M.H, Sibener, L.V, Birnbaum, M.E, Jude, K.M, Garcia, K.C.
Deposit date:2017-10-27
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Stress-testing the relationship between T cell receptor/peptide-MHC affinity and cross-reactivity using peptide velcro.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7URI
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BU of 7uri by Molmil
allo-tRNAUTu1A in the A site of the E. coli ribosome
Descriptor: Allo-tRNAUTu1A
Authors:Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
Deposit date:2022-04-22
Release date:2022-08-10
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
7URM
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BU of 7urm by Molmil
allo-tRNAUTu1A in the P site of the E. coli ribosome
Descriptor: allo-tRNAUTU1A
Authors:Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
Deposit date:2022-04-22
Release date:2022-08-10
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
6B04
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BU of 6b04 by Molmil
Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b)
Descriptor: 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium, Farnesyl diphosphate synthase, ...
Authors:Picard, M.-E, Cusson, M, Shi, R.
Deposit date:2017-09-13
Release date:2017-12-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
5NGM
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BU of 5ngm by Molmil
2.9S structure of the 70S ribosome composing the S. aureus 100S complex
Descriptor: 16S ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Matzov, D, Aibara, S, Zimmerman, E, Bashan, A, Amunts, A, Yonath, A.
Deposit date:2017-03-18
Release date:2017-10-04
Last modified:2018-11-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus.
Nat Commun, 8, 2017
2WEB
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BU of 2web by Molmil
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
Descriptor: METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE, PENICILLOPEPSIN, SULFATE ION, ...
Authors:Ding, J, Fraser, M.E, James, M.N.G.
Deposit date:1998-02-03
Release date:1998-05-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
5W8W
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BU of 5w8w by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement
Descriptor: Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J.
Deposit date:2017-06-22
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
8WDT
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BU of 8wdt by Molmil
Crystal structure of the human adenosine A2A receptor in complex with photoresponsive ligand photoNECA(blue)
Descriptor: (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide, Adenosine receptor A2a, Antibody Fab fragment heavy chain, ...
Authors:Araya, T, Asada, H, Iwata, S, Im, D.H.
Deposit date:2023-09-16
Release date:2024-01-17
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Crystal structure reveals the binding mode and selectivity of a photoswitchable ligand for the adenosine A 2A receptor.
Biochem.Biophys.Res.Commun., 695, 2023
1AHO
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BU of 1aho by Molmil
THE AB INITIO STRUCTURE DETERMINATION AND REFINEMENT OF A SCORPION PROTEIN TOXIN
Descriptor: TOXIN II
Authors:Smith, G.D, Blessing, R.H, Ealick, S.E, Fontecilla-Camps, J.C, Hauptman, H.A, Housset, D, Langs, D.A, Miller, R.
Deposit date:1997-04-08
Release date:1997-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Ab initio structure determination and refinement of a scorpion protein toxin.
Acta Crystallogr.,Sect.D, 53, 1997
7UV1
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BU of 7uv1 by Molmil
Vicilin Ana o 1.0101 leader sequence residues 20-75
Descriptor: Vicilin-like protein
Authors:Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
Deposit date:2022-04-29
Release date:2023-04-05
Method:SOLUTION NMR
Cite:Structure and IgE Cross-Reactivity among Cashew, Pistachio, Walnut, and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 71, 2023
7UV4
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BU of 7uv4 by Molmil
Pis v 3.0101 vicilin leader sequence residues 56-115
Descriptor: Vicilin Pis v 3.0101
Authors:Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
Deposit date:2022-04-29
Release date:2023-04-05
Method:SOLUTION NMR
Cite:Structure and IgE Cross-Reactivity among Cashew, Pistachio, Walnut, and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 71, 2023
7UV2
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BU of 7uv2 by Molmil
Ana o 1 Leader Sequence Residues 82-132
Descriptor: Vicilin-like protein
Authors:Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
Deposit date:2022-04-29
Release date:2023-04-05
Method:SOLUTION NMR
Cite:Structure and IgE Cross-Reactivity among Cashew, Pistachio, Walnut, and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 71, 2023
3BJ2
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BU of 3bj2 by Molmil
met-Perch Hemoglobin at pH 6.3
Descriptor: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
Authors:Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-12-02
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
7UV3
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BU of 7uv3 by Molmil
Pis v 3.0101 Vicilin Leader Sequence Residues 5-52
Descriptor: Vicilin Pis v 3.0101
Authors:Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
Deposit date:2022-04-29
Release date:2023-04-05
Method:SOLUTION NMR
Cite:Structure and IgE Cross-Reactivity among Cashew, Pistachio, Walnut, and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 71, 2023
4FID
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BU of 4fid by Molmil
Crystal structure of a heterotrimeric G-Protein subunit from entamoeba histolytica, EHG-ALPHA-1
Descriptor: G protein alpha subunit, GUANOSINE-5'-DIPHOSPHATE
Authors:Bosch, D.E, Kimple, A.J, Muller, R.E, Gigure, P.M, Willard, F.S, Machius, M, Temple, B.R, Siderovski, D.P.
Deposit date:2012-06-08
Release date:2012-11-28
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterotrimeric G-protein Signaling Is Critical to Pathogenic Processes in Entamoeba histolytica.
Plos Pathog., 8, 2012
6B87
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BU of 6b87 by Molmil
Crystal structure of transmembrane protein TMHC2_E
Descriptor: TMHC2_E
Authors:Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D.
Deposit date:2017-10-05
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.947 Å)
Cite:Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018

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