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7AV4
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BU of 7av4 by Molmil
Dark state structure of the C432S mutant of Fatty Acid Photodecarboxylase (FAP)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
Authors:Schlichting, I, Hartmann, E, Arnoux, P, Sorigue, D, Beisson, F.
Deposit date:2020-11-04
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
8CP8
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BU of 8cp8 by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Lead
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-03-02
Release date:2024-03-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
8CNO
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BU of 8cno by Molmil
Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2023-02-23
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6SKB
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BU of 6skb by Molmil
Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A
Descriptor: 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, ...
Authors:Thorpe, J.H.
Deposit date:2019-08-15
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
8CQQ
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BU of 8cqq by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Copper
Descriptor: COPPER (II) ION, Consensus tetratricopeptide repeat protein, SULFATE ION
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-03-07
Release date:2024-03-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
6SRJ
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BU of 6srj by Molmil
X-ray pump X-ray probe on thaumatin nanocrystals: single pulse reference data
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Kloos, M, Gorel, A, Nass, K.
Deposit date:2019-09-05
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
1FCX
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BU of 1fcx by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394
Descriptor: 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
Authors:Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2000-07-19
Release date:2000-09-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
6SRQ
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BU of 6srq by Molmil
X-ray pump X-ray probe on thaumatin nanocrystals: 18 fs time delay
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Kloos, M, Gorel, A, Nass, K.
Deposit date:2019-09-05
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
7EE5
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BU of 7ee5 by Molmil
Crystal structure of Neu5Gc bound PltC
Descriptor: N-glycolyl-alpha-neuraminic acid, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Subtilase cytotoxin subunit B-like protein, ...
Authors:Liu, X.Y, Chen, Z, Gao, X.
Deposit date:2021-03-17
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin.
Mbio, 13, 2022
6J47
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BU of 6j47 by Molmil
OspA variant with a short chameleon sequence from alpha B crystallin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Outer surface protein A, TETRAETHYLENE GLYCOL
Authors:Makabe, K, Hori, Y.
Deposit date:2019-01-08
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Grafting a short chameleon sequence from alpha B crystallin into a beta-sheet scaffold protein.
Proteins, 87, 2019
7EE4
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BU of 7ee4 by Molmil
Crystal structure of Neu5Ac bound PltC
Descriptor: N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Liu, X.Y, Chen, Z, Gao, X.
Deposit date:2021-03-17
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin.
Mbio, 13, 2022
5MX8
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BU of 5mx8 by Molmil
Crystal structure of H. pylori purine nucleoside phosphorylase from clinical isolate HpPNP-3
Descriptor: HYPOXANTHINE, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type, ...
Authors:Stefanic, Z.
Deposit date:2017-01-21
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of purine nucleoside phosphorylase from human pathogen Helicobacter pylori.
Int. J. Biol. Macromol., 101, 2017
7TFS
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BU of 7tfs by Molmil
Cryo-EM of the OmcE nanowires from Geobacter sulfurreducens
Descriptor: Cytochrome c, HEME C
Authors:Wang, F, Mustafa, K, Chan, C.H, Joshi, K, Hochbaum, A.I, Bond, D.R, Egelman, E.H.
Deposit date:2022-01-07
Release date:2022-05-04
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of an extracellular Geobacter OmcE cytochrome filament reveals tetrahaem packing.
Nat Microbiol, 7, 2022
6SJ9
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BU of 6sj9 by Molmil
Proteasome accessory factor B/C (PafBC) of Arthrobacter aurescens
Descriptor: DI(HYDROXYETHYL)ETHER, POTASSIUM ION, Proteasome accessory factor B/C (PafBC), ...
Authors:Mueller, A.U, Leibundgut, M, Ban, N, Weber-Ban, E.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and functional implications of WYL domain-containing bacterial DNA damage response regulator PafBC.
Nat Commun, 10, 2019
7EE3
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BU of 7ee3 by Molmil
Crystal structure of PltC
Descriptor: Subtilase cytotoxin subunit B-like protein, TETRAETHYLENE GLYCOL
Authors:Liu, X.Y, Chen, Z, Gao, X.
Deposit date:2021-03-17
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin.
Mbio, 13, 2022
5MU5
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BU of 5mu5 by Molmil
Structure of MAf glycosyltransferase from Magnetospirillum magneticum AMB-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Sulzenbacher, G, Roig-Zamboni, V, Murat, D, Vincentelli, R, Wu, L.F, Guerardel, Y, Alberto, F.
Deposit date:2017-01-12
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Glycosylate and move! The glycosyltransferase Maf is involved in bacterial flagella formation.
Environ. Microbiol., 20, 2018
2BLX
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BU of 2blx by Molmil
HEWL before a high dose x-ray "burn"
Descriptor: LYSOZYME C, TETRAETHYLENE GLYCOL
Authors:Nanao, M.H, Ravelli, R.B.
Deposit date:2005-03-08
Release date:2005-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
4I9O
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BU of 4i9o by Molmil
Crystal Structure of GACKIX L664C Tethered to 1-10
Descriptor: 1,2-ETHANEDIOL, 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one, CREB-binding protein
Authors:Wang, N, Meagher, J.L, Stuckey, J.A, Mapp, A.K.
Deposit date:2012-12-05
Release date:2013-03-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ordering a dynamic protein via a small-molecule stabilizer.
J.Am.Chem.Soc., 135, 2013
5OOM
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BU of 5oom by Molmil
Structure of a native assembly intermediate of the human mitochondrial ribosome with unfolded interfacial rRNA
Descriptor: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Brown, A, Rathore, S, Kimanius, D, Aibara, S, Bai, X.C, Rorbach, J, Amunts, A, Ramakrishnan, V.
Deposit date:2017-08-08
Release date:2017-09-13
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structures of the human mitochondrial ribosome in native states of assembly.
Nat. Struct. Mol. Biol., 24, 2017
7E6A
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BU of 7e6a by Molmil
Crystal structure of cysteine desulfurase SufS C361A from Bacillus subtilis
Descriptor: 1,2-ETHANEDIOL, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, ...
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
7E6E
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BU of 7e6e by Molmil
Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in D-cycloserine-inhibition
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ...
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
7E6C
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BU of 7e6c by Molmil
Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis
Descriptor: (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Cysteine desulfurase SufS, ...
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
5JAR
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BU of 5jar by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
1FDO
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BU of 1fdo by Molmil
OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, ...
Authors:Sun, P.D, Boyington, J.C.
Deposit date:1997-01-27
Release date:1997-08-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster.
Science, 275, 1997
7E6B
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BU of 7e6b by Molmil
Crystal structure of PMP-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ...
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022

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