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8JWV
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BU of 8jwv by Molmil
Untethered R0RBR
Descriptor: BARIUM ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
Authors:Lenka, D.R, Kumar, A.
Deposit date:2023-06-29
Release date:2024-07-03
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Additional feedforward mechanism of Parkin activation via binding of phospho-UBL and RING0 in trans.
Elife, 13, 2024
6G1D
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BU of 6g1d by Molmil
Corynebacterium glutamicum OxyR C206 mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Young, D.R, Pedre, B.P, Messens, J.M.
Deposit date:2018-03-21
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5HI4
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BU of 5hi4 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
6PGJ
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BU of 6pgj by Molmil
Crystal Structure of EcDsbA in a complex with unpurified reaction product A5 (Morpholine carboxylic acid 7)
Descriptor: (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, (3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, COPPER (II) ION, ...
Authors:Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
Deposit date:2019-06-24
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
6G1Y
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BU of 6g1y by Molmil
Crystal structure of the photosensory core module (PCM) of a bathy phytochrome from Agrobacterium fabrum in the Pfr state.
Descriptor: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein
Authors:Schmidt, A, Qureshi, B.M, Scheerer, P.
Deposit date:2018-03-22
Release date:2018-11-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural snapshot of a bacterial phytochrome in its functional intermediate state.
Nat Commun, 9, 2018
7CB6
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BU of 7cb6 by Molmil
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
6XK3
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BU of 6xk3 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
8JXK
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BU of 8jxk by Molmil
Crystal Structure of Rv0047c from Mycobacterium tuberculosis
Descriptor: Conserved protein
Authors:Ansari, M.S, Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A.
Deposit date:2023-06-30
Release date:2024-07-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal Structure of Rv0047c from Mycobacterium tuberculosis
To Be Published
6G5P
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BU of 6g5p by Molmil
Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
Descriptor: (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2018-03-29
Release date:2018-04-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
5W0Z
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BU of 5w0z by Molmil
Crystal structure of MBP fused activation-induced cytidine deaminase (AID)
Descriptor: MBP fused activation-induced cytidine deaminase, ZINC ION
Authors:Qiao, Q, Wang, L, Wu, H.
Deposit date:2017-06-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:AID Recognizes Structured DNA for Class Switch Recombination.
Mol. Cell, 67, 2017
7CKH
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BU of 7ckh by Molmil
Crystal structure of TMSiPheRS
Descriptor: Tyrosine--tRNA ligase
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79492676 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
5VPW
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BU of 5vpw by Molmil
Nitrogenase Cp1 at pH 5
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ...
Authors:Morrison, C.N, Spatzal, T, Rees, D.C.
Deposit date:2017-05-05
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Reversible Protonated Resting State of the Nitrogenase Active Site.
J. Am. Chem. Soc., 139, 2017
5H61
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BU of 5h61 by Molmil
Structure of Transferase mutant-C23S,C199S
Descriptor: Transferase
Authors:Park, J.B, Yoo, Y, Kim, J.
Deposit date:2016-11-10
Release date:2017-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis for arginine glycosylation of host substrates by bacterial effector proteins.
Nat Commun, 9, 2018
8JV4
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BU of 8jv4 by Molmil
Structure of the SAR11 PotD in complex with DMSP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, GLYCEROL, ...
Authors:Ma, Q, Liu, C.
Deposit date:2023-06-27
Release date:2024-07-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.445 Å)
Cite:Structure of the SAR11 PotD in complex with DMSP
To Be Published
6UQ0
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BU of 6uq0 by Molmil
RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 4
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Oh, J, Wang, D.
Deposit date:2019-10-18
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.56 Å)
Cite:RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
5VQE
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BU of 5vqe by Molmil
Beta-glucoside phosphorylase BglX bound to 2FGlc
Descriptor: 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucoside phosphorylase BglX
Authors:Patel, A, Mark, B.L.
Deposit date:2017-05-08
Release date:2018-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Structural and mechanistic analysis of a beta-glycoside phosphorylase identified by screening a metagenomic library.
J. Biol. Chem., 293, 2018
6XJN
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BU of 6xjn by Molmil
Human atlastin-1 (residues 1-439) bound to GDP-Mg2+ exhibits an ordered amino terminus
Descriptor: Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:O'Donnell, J.P, Sondermann, H.
Deposit date:2020-06-24
Release date:2021-06-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The hypervariable region of atlastin-1 is a site for intrinsic and extrinsic regulation.
J.Cell Biol., 220, 2021
6PHZ
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BU of 6phz by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptan-2-one
Descriptor: 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, Acetylpolyamine Amidohydrolase, MAGNESIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-25
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6G61
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BU of 6g61 by Molmil
Crystal structure of thioredoxin O1 from Arabidopsis thaliana in oxidized state
Descriptor: Thioredoxin O1, mitochondrial
Authors:Roret, T, Didierjean, C.
Deposit date:2018-03-31
Release date:2018-10-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:MitochondrialArabidopsis thalianaTRXo Isoforms Bind an Iron−Sulfur Cluster and Reduce NFU Proteins In Vitro.
Antioxidants (Basel), 7, 2018
6UX8
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BU of 6ux8 by Molmil
Structure of monobody 33 MLKL N-terminal domain complex
Descriptor: Mixed lineage kinase domain-like protein, Monobody, ZINC ION
Authors:Birkinshaw, R.W, Petrie, E.J, Murphy, J.M.
Deposit date:2019-11-07
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of MLKL membrane translocation as a checkpoint in necroptotic cell death using Monobodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
6G65
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BU of 6g65 by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-VV
Descriptor: CC-Type2-VV
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2018-04-01
Release date:2018-10-17
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6G6C
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BU of 6g6c by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17E
Descriptor: CC-Type2-LL-L17E
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2018-04-01
Release date:2018-10-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
8JV1
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BU of 8jv1 by Molmil
Structure of the SAR11 PotD in complex with GABA
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Ma, Q, Liu, C.
Deposit date:2023-06-27
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.309 Å)
Cite:Structure of the SAR11 PotD in complex with GABA
To Be Published
6G6P
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BU of 6g6p by Molmil
Crystal structure of the computationally designed Ika8 protein: crystal packing No.2 in P63
Descriptor: Ika8
Authors:Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D.
Deposit date:2018-04-01
Release date:2018-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
5VRG
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BU of 5vrg by Molmil
Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CHLORIDE ION, ...
Authors:Murray, J.M, Noland, C.L.
Deposit date:2017-05-10
Release date:2017-07-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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