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5D8Y
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BU of 5d8y by Molmil
2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa
Descriptor: ACETATE ION, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-18
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5NBD
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BU of 5nbd by Molmil
PglK flippase in complex with inhibitory nanobody
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nanobody, WlaB protein
Authors:Perez, C, Pardon, E, Steyaert, J, Locher, K.P.
Deposit date:2017-03-01
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural basis of inhibition of lipid-linked oligosaccharide flippase PglK by a conformational nanobody.
Sci Rep, 7, 2017
8DCI
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BU of 8dci by Molmil
Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x (inhibitor-free)
Descriptor: Protease
Authors:Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
Deposit date:2022-06-16
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics.
J.Mol.Graph.Model., 117, 2022
8DCH
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BU of 8dch by Molmil
Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x with GRL-0519 (tris-tetrahydrofuran as P2 ligand)
Descriptor: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
Authors:Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
Deposit date:2022-06-16
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics.
J.Mol.Graph.Model., 117, 2022
5N5Q
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BU of 5n5q by Molmil
Human TTR altered conformation from soaking in iron chloride.
Descriptor: ACETATE ION, FE (III) ION, Transthyretin, ...
Authors:Ciccone, L, Savko, M, Shepard, W, Stura, E.A.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
5NC8
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BU of 5nc8 by Molmil
Shewanella denitrificans Kef CTD in AMP bound form
Descriptor: ADENOSINE MONOPHOSPHATE, Potassium efflux system protein
Authors:Pliotas, C, Naismith, J.H.
Deposit date:2017-03-03
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Adenosine Monophosphate Binding Stabilizes the KTN Domain of the Shewanella denitrificans Kef Potassium Efflux System.
Biochemistry, 56, 2017
5ND9
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BU of 5nd9 by Molmil
Hibernating ribosome from Staphylococcus aureus (Rotated state)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Khusainov, I, Vicens, Q, Ayupov, R, Usachev, K, Myasnikov, A, Simonetti, A, Validov, S, Kieffer, B, Yusupova, G, Yusupov, M, Hashem, Y.
Deposit date:2017-03-07
Release date:2017-06-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF.
EMBO J., 36, 2017
8D5D
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BU of 8d5d by Molmil
Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-arginine
Descriptor: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, D-ornithine/D-lysine decarboxylase, DIMETHYL SULFOXIDE, ...
Authors:Phillips, R.S, Nguyen Hoang, K.N.
Deposit date:2022-06-04
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
5M1T
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BU of 5m1t by Molmil
PaMucR Phosphodiesterase, c-di-GMP complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, MucR Phosphodiesterase
Authors:Hutchin, A, Tews, I, Walsh, M.A.
Deposit date:2016-10-10
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
5M3Y
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BU of 5m3y by Molmil
Crystal structure of human glycosylated angiotensinogen
Descriptor: Angiotensinogen, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yan, Y, Read, R.J.
Deposit date:2016-10-17
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the specificity of renin-mediated angiotensinogen cleavage.
J. Biol. Chem., 294, 2019
4PK1
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BU of 4pk1 by Molmil
Structure of BamB fused to a BamA POTRA domain fragment
Descriptor: Chimera protein of Outer membrane protein assembly factors BamA and BamB
Authors:Jansen, K.B, Sousa, M.C.
Deposit date:2014-05-13
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of BamB Bound to a Periplasmic Domain Fragment of BamA, the Central Component of the beta-Barrel Assembly Machine.
J.Biol.Chem., 290, 2015
3ZJL
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BU of 3zjl by Molmil
Leu(142)G4Ala mutation of M.acetivorans protoglobin in complex with cyanide
Descriptor: CYANIDE ION, PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M.
Deposit date:2013-01-18
Release date:2013-07-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
3ZJQ
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BU of 3zjq by Molmil
M.acetivorans protoglobin in complex with nicotinamide
Descriptor: GLYCEROL, NICOTINAMIDE, PROTOGLOBIN, ...
Authors:Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M.
Deposit date:2013-01-18
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
3ZJO
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BU of 3zjo by Molmil
M.acetivorans protoglobin in complex with azide
Descriptor: AZIDE ION, PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M.
Deposit date:2013-01-18
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
3ZJN
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BU of 3zjn by Molmil
M.acetivorans protoglobin in complex with cyanide
Descriptor: CYANIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M.
Deposit date:2013-01-18
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
5M3X
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BU of 5m3x by Molmil
Crystal structure of human angiotensin I-deleted angiotensinogen
Descriptor: Angiotensinogen
Authors:Yan, Y, Read, R.J.
Deposit date:2016-10-17
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural basis for the specificity of renin-mediated angiotensinogen cleavage.
J. Biol. Chem., 294, 2019
5M0R
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BU of 5m0r by Molmil
Cryo-EM reconstruction of the maedi-visna virus (MVV) strand transfer complex
Descriptor: integrase, tDNA, vDNA, ...
Authors:Pye, V.E, Ballandras-Colas, A, Maskell, D, Locke, J, Kotecha, A, Costa, A, Cherepanov, P.
Deposit date:2016-10-05
Release date:2017-01-18
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017
4R6L
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BU of 4r6l by Molmil
Crystal structure of bacteriophytochrome RpBphP2 from photosynthetic bacterium R. palustris
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome (Light-regulated signal transduction histidine kinase), PhyB1
Authors:Yang, X, Stojkovic, E, Ozarowski, W, Kuk, J, Davydova, E, Moffat, K.
Deposit date:2014-08-25
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.395 Å)
Cite:Light Signaling Mechanism of Two Tandem Bacteriophytochromes.
Structure, 23, 2015
4WQ5
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BU of 4wq5 by Molmil
YgjD(V85E)-YeaZ heterodimer in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, FE (III) ION, ...
Authors:Zhang, W.
Deposit date:2014-10-21
Release date:2015-01-28
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The ATP-mediated formation of the YgjD-YeaZ-YjeE complex is required for the biosynthesis of tRNA t6A in Escherichia coli.
Nucleic Acids Res., 43, 2015
3ZJJ
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BU of 3zjj by Molmil
Phe(93)E11Leu mutation of M.acetivorans protoglobin in complex with cyanide
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYANIDE ION, GLYCEROL, ...
Authors:Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M.
Deposit date:2013-01-18
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
3ZJS
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BU of 3zjs by Molmil
M.acetivorans protoglobin in complex with azide and Xenon
Descriptor: AZIDE ION, PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M.
Deposit date:2013-01-18
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
5MF5
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BU of 5mf5 by Molmil
PA3825-EAL Mg-CdG Structure
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION
Authors:Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
Deposit date:2016-11-17
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
1YS7
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BU of 1ys7 by Molmil
Crystal structure of the response regulator protein prrA complexed with Mg2+
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2005-02-07
Release date:2006-02-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The structural basis of signal transduction for the response regulator PrrA from Mycobacterium tuberculosis.
J.Biol.Chem., 281, 2006
3ZJR
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BU of 3zjr by Molmil
M.acetivorans protoglobin in complex with cyanide and Xenon
Descriptor: CYANIDE ION, PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M.
Deposit date:2013-01-18
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
5NOO
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BU of 5noo by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W.
Deposit date:2017-04-12
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017

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