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6F48
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BU of 6f48 by Molmil
Structure of quinolinate synthase with reaction intermediates X and Y
Descriptor: 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid, 5-hydroxy,-4,5-dihydroquinolinate, CHLORIDE ION, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6F4L
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BU of 6f4l by Molmil
Structure of quinolinate synthase with inhibitor-derived quinolinate
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6G74
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BU of 6g74 by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with phthalate
Descriptor: IRON/SULFUR CLUSTER, PHTHALIC ACID, Quinolinate synthase A
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-04-04
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6F4D
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BU of 6f4d by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with PGH
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, PHOSPHATE ION, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
4UAB
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BU of 4uab by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine
Descriptor: CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-08-08
Release date:2014-09-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
1TOX
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BU of 1tox by Molmil
DIPHTHERIA TOXIN DIMER COMPLEXED WITH NAD
Descriptor: DIPHTHERIA TOXIN (DIMERIC), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Bell, C.E, Eisenberg, D.
Deposit date:1995-10-06
Release date:1996-06-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of diphtheria toxin bound to nicotinamide adenine dinucleotide.
Biochemistry, 35, 1996
5IML
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BU of 5iml by Molmil
Nanobody targeting human Vsig4 in Spacegroup P212121
Descriptor: Nanobody, V-set and immunoglobulin domain-containing protein 4
Authors:Wen, Y.
Deposit date:2016-03-06
Release date:2017-01-11
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity
Immunobiology, 222, 2017
6Z1I
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BU of 6z1i by Molmil
AL amyloid fibril from a lambda 3 light chain in conformation B
Descriptor: lambda 3 light chain fragment, residues 2-116
Authors:Radamaker, L, Fandrich, M.
Deposit date:2020-05-13
Release date:2021-02-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM reveals structural breaks in a patient-derived amyloid fibril from systemic AL amyloidosis.
Nat Commun, 12, 2021
6Z1O
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BU of 6z1o by Molmil
AL amyloid fibril from a lambda 3 light chain in conformation A
Descriptor: lambda 3 immunoglobulin light chain fragment, residues 2-116
Authors:Radamaker, L, Fandrich, M.
Deposit date:2020-05-14
Release date:2021-02-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM reveals structural breaks in a patient-derived amyloid fibril from systemic AL amyloidosis.
Nat Commun, 12, 2021
4R31
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BU of 4r31 by Molmil
Crystal structure of a putative uridine phosphorylase from Actinobacillus succinogenes 130Z (Target NYSGRC-029667 )
Descriptor: GLYCEROL, Uridine phosphorylase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-08-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative uridine phosphorylase from Actinobacillus succinogenes 130Z (Target NYSGRC-029667 )
to be published
6GWJ
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BU of 6gwj by Molmil
Human OSGEP / LAGE3 / GON7 complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ...
Authors:Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H.
Deposit date:2018-06-25
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome.
Nat Commun, 10, 2019
4FE1
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BU of 4fe1 by Molmil
Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
Deposit date:2012-05-29
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.9228 Å)
Cite:Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
5ZXN
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BU of 5zxn by Molmil
Crystal structure of CurA from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NADP-dependent oxidoreductase
Authors:Kim, M.-K, Bae, D.-W, Cha, S.-S.
Deposit date:2018-05-21
Release date:2019-04-03
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus.
J. Agric. Food Chem., 66, 2018
5ZXU
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BU of 5zxu by Molmil
Crystal structure of CurA in complex with NADPH from Vibrio vulnificus
Descriptor: NADP-dependent oxidoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kim, M.-K, Bae, D.-W, Cha, S.-S.
Deposit date:2018-05-21
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus.
J. Agric. Food Chem., 66, 2018
8E9F
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BU of 8e9f by Molmil
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Descriptor: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W.
Deposit date:2022-08-26
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UK2
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BU of 7uk2 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
Descriptor: Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ...
Authors:Erdogan, F, Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-03-31
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma.
Pharmaceuticals, 15, 2022
5HT0
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BU of 5ht0 by Molmil
Crystal structure of an Antibiotic_NAT family aminoglycoside acetyltransferase HMB0038 from an uncultured soil metagenomic sample in complex with coenzyme A
Descriptor: Aminoglycoside acetyltransferase HMB0005, COENZYME A, SULFATE ION
Authors:Xu, Z, Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-26
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
5V68
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BU of 5v68 by Molmil
Crystal structure of cell division protein FtsZ from Mycobacterium tuberculosis bounded via the T9 loop
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION
Authors:Lazo, E.O, Ojima, I, Chowdhury, S.R, Awasthi, D, Jakoncic, J.
Deposit date:2017-03-16
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Novel T9 loop conformation of filamenting temperature-sensitive mutant Z from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 75, 2019
4Z8K
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BU of 4z8k by Molmil
Phycocyanin structure from T. elongatus at 2.5-A from XFEL using a viscous delivery medium for serial femtosecond crystallography
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Fromme, R, Basu, S, Fromme, P.
Deposit date:2015-04-09
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A novel inert crystal delivery medium for serial femtosecond crystallography.
Iucrj, 2, 2015
7P4M
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BU of 7p4m by Molmil
Structure of the quinolinate synthase Y107F variant in an empty open form
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4Q
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BU of 7p4q by Molmil
Structure of the quinolinate synthase S124A variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4P
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BU of 7p4p by Molmil
Structure of the quinolinate synthase A84L variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
6OJ0
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BU of 6oj0 by Molmil
Cryo-EM reconstruction of Sulfolobus polyhedral virus 1 (SPV1)
Descriptor: Structural protein VP4, Uncharacterized protein
Authors:Wang, F, Liu, Y, Conway, J.F, Krupovic, M, Prangishvili, D, Egelman, E.H.
Deposit date:2019-04-10
Release date:2019-10-02
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A packing for A-form DNA in an icosahedral virus.
Proc.Natl.Acad.Sci.USA, 116, 2019
1DDT
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BU of 1ddt by Molmil
THE REFINED STRUCTURE OF DIMERIC DIPHTHERIA TOXIN AT 2.0 ANGSTROMS RESOLUTION
Descriptor: ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE, DIPHTHERIA TOXIN
Authors:Bennett, M.J, Eisenberg, D.
Deposit date:1994-03-01
Release date:1994-07-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined structure of dimeric diphtheria toxin at 2.0 A resolution.
Protein Sci., 3, 1994
6OIG
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BU of 6oig by Molmil
Subunit joining exposes nascent pre-40S rRNA for processing and quality control
Descriptor: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Rai, J, Parker, M.D, Ghalei, H, Johnson, M.C, Karbstein, K, Stroupe, M.E.
Deposit date:2019-04-09
Release date:2020-09-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:An open interface in the pre-80S ribosome coordinated by ribosome assembly factors Tsr1 and Dim1 enables temporal regulation of Fap7.
Rna, 27, 2021

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