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6DPX
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BU of 6dpx by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
Descriptor: (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase
Authors:Singh, I.
Deposit date:2018-06-09
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
3O8N
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BU of 3o8n by Molmil
Structure of phosphofructokinase from rabbit skeletal muscle
Descriptor: 6-phosphofructokinase, muscle type, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Banaszak, K, Chang, S.H, Rypniewski, W.
Deposit date:2010-08-03
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
7PF9
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BU of 7pf9 by Molmil
SynFtn Variant E141D
Descriptor: CHLORIDE ION, Ferritin, SODIUM ION
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2021-08-11
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
7Q28
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BU of 7q28 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q26
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BU of 7q26 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q27
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BU of 7q27 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q24
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BU of 7q24 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q29
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BU of 7q29 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q25
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BU of 7q25 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
3ITE
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BU of 3ite by Molmil
The third adenylation domain of the fungal SidN non-ribosomal peptide synthetase
Descriptor: CHLORIDE ION, SULFATE ION, SidN siderophore synthetase
Authors:Lee, T.V, Lott, J.S, Johnson, R.D, Johnson, L.J, Arcus, V.L.
Deposit date:2009-08-28
Release date:2009-11-17
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a eukaryotic nonribosomal peptide synthetase adenylation domain that activates a large hydroxamate amino acid in siderophore biosynthesis
J.Biol.Chem., 285, 2010
4UE4
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BU of 4ue4 by Molmil
Structural basis for targeting and elongation arrest of Bacillus signal recognition particle
Descriptor: 6S RNA, FTSQ SIGNAL SEQUENCE, SIGNAL RECOGNITION PARTICLE PROTEIN
Authors:Beckert, B, Kedrov, A, Sohmen, D, Kempf, G, Wild, K, Sinning, I, Stahlberg, H, Wilson, D.N, Beckmann, R.
Deposit date:2014-12-15
Release date:2015-09-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Translational Arrest by a Prokaryotic Signal Recognition Particle is Mediated by RNA Interactions.
Nat.Struct.Mol.Biol., 22, 2015
4UE5
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BU of 4ue5 by Molmil
Structural basis for targeting and elongation arrest of Bacillus signal recognition particle
Descriptor: 7S RNA, SIGNAL RECOGNITION PARTICLE 54 KDA PROTEIN, SIGNAL RECOGNITION PARTICLE 9 KDA PROTEIN, ...
Authors:Beckert, B, Kedrov, A, Sohmen, D, Kempf, G, Wild, K, Sinning, I, Stahlberg, H, Wilson, D.N, Beckmann, R.
Deposit date:2014-12-15
Release date:2015-09-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Translational Arrest by a Prokaryotic Signal Recognition Particle is Mediated by RNA Interactions.
Nat.Struct.Mol.Biol., 22, 2015
4IOX
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BU of 4iox by Molmil
The structure of the herpes simplex virus DNA-packaging motor pUL15 C-terminal nuclease domain provides insights into cleavage of concatemeric viral genome precursors
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
Authors:Selvarajan Sigamani, S, Zhao, H, Kamau, Y, Tang, L.
Deposit date:2013-01-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.458 Å)
Cite:The Structure of the Herpes Simplex Virus DNA-Packaging Terminase pUL15 Nuclease Domain Suggests an Evolutionary Lineage among Eukaryotic and Prokaryotic Viruses.
J.Virol., 87, 2013
6NE2
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BU of 6ne2 by Molmil
Designed repeat protein in complex with Fz7
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2018-12-15
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
3E49
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BU of 3e49 by Molmil
Crystal structure of a prokaryotic domain of unknown function (duf849) with a tim barrel fold (bxe_c0966) from burkholderia xenovorans lb400 at 1.75 A resolution
Descriptor: 2-ETHOXYETHANOL, ACETATE ION, IMIDAZOLE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-08-11
Release date:2008-08-26
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of prokaryotic domain of unknown function (DUF849) with a TIM barrel fold (YP_556190.1) from BURKHOLDERIA XENOVORANS LB400 at 1.75 A resolution
To be published
6NC5
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BU of 6nc5 by Molmil
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif
Descriptor: ACETATE ION, Beta-lactamase, PHOSPHATE ION, ...
Authors:Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
Deposit date:2018-12-10
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse.
Protein Cell, 11, 2020
6NJO
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BU of 6njo by Molmil
Structure of the assembled ATPase EscN from the enteropathogenic E. coli (EPEC) type III secretion system
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Majewski, D.D, Worrall, L.J, Hong, C, Atkinson, C.E, Vuckovic, M, Watanabe, N, Yu, Z, Strynadka, N.C.J.
Deposit date:2019-01-03
Release date:2019-02-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structure of the homohexameric T3SS ATPase-central stalk complex reveals rotary ATPase-like asymmetry.
Nat Commun, 10, 2019
6NPW
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BU of 6npw by Molmil
SSu72/Sympk in complex with Ser2/Ser5 phosphorylated peptide
Descriptor: PHOSPHATE ION, Ser2/Ser5 phosphorylated peptide, Ssu72 ortholog, ...
Authors:Irani, S, Zhang, Y.
Deposit date:2019-01-18
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Structural determinants for accurate dephosphorylation of RNA polymerase II by its cognate C-terminal domain (CTD) phosphatase during eukaryotic transcription.
J.Biol.Chem., 294, 2019
6O2N
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BU of 6o2n by Molmil
CDTb Double Heptamer Short Form Modeled from Cryo-EM Map Reconstructed using C7 Symmetry
Descriptor: ADP-ribosyltransferase binding component
Authors:Lacy, D.B, Sheedlo, M.J, Anderson, D.M.
Deposit date:2019-02-24
Release date:2019-10-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore.
Nat Microbiol, 5, 2020
6NE1
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BU of 6ne1 by Molmil
Designed repeat protein in complex with Fz4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Pfs, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2018-12-15
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
6NE4
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BU of 6ne4 by Molmil
Designed repeat protein specifically in complex with Fz7CRD
Descriptor: 1,2-ETHANEDIOL, Designed repeat binding protein, Frizzled-7, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2018-12-16
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
3ET6
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BU of 3et6 by Molmil
The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase
Descriptor: PHOSPHATE ION, Soluble guanylyl cyclase beta
Authors:Winger, J.A, Derbyshire, E.R, Lamers, M.H, Marletta, M.A, Kuriyan, J.
Deposit date:2008-10-07
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase.
Bmc Struct.Biol., 8, 2008
6O2M
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BU of 6o2m by Molmil
CDTb Double Heptamer Long Form Modeled from Cryo-EM Map Reconstructed using C7 Symmetry
Descriptor: ADP-ribosyltransferase binding component
Authors:Lacy, D.B, Sheedlo, M.J, Anderson, D.M.
Deposit date:2019-02-24
Release date:2019-10-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore.
Nat Microbiol, 5, 2020
3FAL
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BU of 3fal by Molmil
humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186
Descriptor: 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L.
Deposit date:2008-11-17
Release date:2009-04-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
6NZ9
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BU of 6nz9 by Molmil
Crystal structure of E. coli fumarase C bound to citrate at 1.53 angstrom resolution
Descriptor: CITRIC ACID, Fumarate hydratase class II
Authors:Stuttgen, G.M, May, J.F, Bhattcharyya, B, Weaver, T.M.
Deposit date:2019-02-13
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Closed fumarase C active-site structures reveal SS Loop residue contribution in catalysis.
Febs Lett., 594, 2020

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