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7OUF
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BU of 7ouf by Molmil
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450
Descriptor: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
Authors:Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
Deposit date:2021-06-11
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OUG
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BU of 7oug by Molmil
STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir
Descriptor: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ...
Authors:Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
Deposit date:2021-06-11
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OUH
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BU of 7ouh by Molmil
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir
Descriptor: Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
Authors:Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
Deposit date:2021-06-11
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7PEL
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BU of 7pel by Molmil
CryoEM structure of simian T-cell lymphotropic virus intasome in complex with PP2A regulatory subunit B56 gamma
Descriptor: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Isoform 3 of PC4 and SFRS1-interacting protein,Isoform Gamma-2 of Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ...
Authors:Barski, M, Pye, V.E, Nans, A, Cherepanov, P, Maertens, G.N.
Deposit date:2021-08-10
Release date:2021-08-25
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56gamma.
Nat Commun, 11, 2020
7OWG
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BU of 7owg by Molmil
human DEPTOR in a complex with mutant human mTORC1 A1459P
Descriptor: DEP domain-containing mTOR-interacting protein, Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, ...
Authors:Heimhalt, M, Berndt, A, Wagstaff, J, Anandapadamanaban, M, Perisic, O, Maslen, S, McLaughlin, S, Yu, W.-H, Masson, G.R, Boland, A, Ni, X, Yamashita, K, Murshudov, G.N, Skehel, M, Freund, S.M, Williams, R.L.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Bipartite binding and partial inhibition links DEPTOR and mTOR in a mutually antagonistic embrace.
Elife, 10, 2021
6BMG
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BU of 6bmg by Molmil
Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
Descriptor: ACETATE ION, CADMIUM ION, Myoglobin, ...
Authors:Samuel, P.P, Miller, M.D, Xu, W, Alvarado, S, Phillips Jr, G.N, Olson, J.S.
Deposit date:2017-11-14
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
To Be Published
6HPS
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BU of 6hps by Molmil
Near-infrared dual bioluminescence imaging in vivo using infra-luciferin
Descriptor: Luciferin 4-monooxygenase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate
Authors:Parkinson, G.N, Stowe, C, Anderson, J.C.
Deposit date:2018-09-21
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Near-infrared dual bioluminescence imaging in mouse models of cancer using infraluciferin.
Elife, 8, 2019
7Q3S
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BU of 7q3s by Molmil
Crystal structure of UGT706F8 from Zea mays
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Fredslund, F, Bidart, G.N, Welner, D.H.
Deposit date:2021-10-28
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Family 1 Glycosyltransferase UGT706F8 from Zea mays Selectively Catalyzes the Synthesis of Silibinin 7- O -beta-d-Glucoside.
Acs Sustain Chem Eng, 10, 2022
6IJ9
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BU of 6ij9 by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with UDP
Descriptor: UDP-glycosyltransferase 89C1, URIDINE-5'-DIPHOSPHATE
Authors:Zong, G.N, Wang, X.Q.
Deposit date:2018-10-09
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with UDP
To Be Published
6JJI
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BU of 6jji by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4 (1:1)
Descriptor: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
Authors:Zhang, Y.S, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6JJF
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BU of 6jjf by Molmil
Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), POTASSIUM ION, ...
Authors:Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6JJH
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BU of 6jjh by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4
Descriptor: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
Authors:Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
5UPQ
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BU of 5upq by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP465 ligand
Descriptor: 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5UPS
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BU of 5ups by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP663 ligand
Descriptor: 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, FORMIC ACID, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.-Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
6KFL
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BU of 6kfl by Molmil
Crystal structure of a two-quartet DNA G-quadruplex complexed with the porphyrin TMPyP4
Descriptor: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), ...
Authors:Zhang, Y.S, Parkinson, G.N, Wei, D.G.
Deposit date:2019-07-08
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of a two-quartet DNA G-quadruplex complexed with the porphyrin TMPyP4
To Be Published
5UPT
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BU of 5upt by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand
Descriptor: (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
6QI5
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BU of 6qi5 by Molmil
Near Atomic Structure of an Atadenovirus Shows a possible gene duplication event and Intergenera Variations in Cementing Proteins
Descriptor: Hexon protein, PIIIa, Penton protein, ...
Authors:Condezo, G.N, Marabini, R, Gomez-Blanco, J, SanMartin, C.
Deposit date:2019-01-17
Release date:2020-08-05
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Near-atomic structure of an atadenovirus reveals a conserved capsid-binding motif and intergenera variations in cementing proteins.
Sci Adv, 7, 2021
5W27
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BU of 5w27 by Molmil
Crystal structure of TnmS3 in complex with tiancimycin (TNM B)
Descriptor: Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
Authors:Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-06-05
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of TnmS3 in complex with tiancimycin (TNM B)
To Be Published
6N04
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BU of 6n04 by Molmil
The X-ray crystal structure of AbsH3, an FAD dependent reductase from the Abyssomicin biosynthesis pathway in Streptomyces
Descriptor: AbsH3, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Clinger, J.A, Wang, X, Cai, W, Miller, M.D, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2018-11-06
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:The crystal structure of AbsH3: A putative flavin adenine dinucleotide-dependent reductase in the abyssomicin biosynthesis pathway.
Proteins, 2020
1BMG
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BU of 1bmg by Molmil
CRYSTAL STRUCTURE OF BOVINE BETA2-MICROGLOBULIN
Descriptor: BETA=2=-MICROGLOBULIN
Authors:Becker, J.W, Reeke Junior, G.N.
Deposit date:1995-07-18
Release date:1995-10-15
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of beta 2-microglobulin.
Proc.Natl.Acad.Sci.USA, 82, 1985
7UQA
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BU of 7uqa by Molmil
Crystal structure of the small Ultra-Red Fluorescent Protein (smURFP)
Descriptor: CHLORIDE ION, SODIUM ION, small Ultra-Red Fluorescent Protein (smURFP)
Authors:Maiti, A, Buffalo, C.Z, Saurabh, S, Montecinos-Franjola, F, Hachey, J.S, Conlon, W.J, Tran, G.N, Drobizhev, M, Moerner, W.E, Ghosh, P, Matsuo, H, Tsien, R.Y, Lin, J.Y, Rodriguez, E.A.
Deposit date:2022-04-19
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural and photophysical characterization of the small ultra-red fluorescent protein.
Nat Commun, 14, 2023
4Q29
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BU of 4q29 by Molmil
Ensemble Refinement of plu4264 protein from Photorhabdus luminescens
Descriptor: NICKEL (II) ION, SODIUM ION, plu4264 protein
Authors:Wang, F, Michalska, K, Li, H, Jedrzejczak, R, Babnigg, G, Bingman, C.A, Yennamalli, R, Weerth, S, Miller, M.D, Thomas, M.G, Joachimiak, A, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-04-07
Release date:2014-05-07
Last modified:2015-02-11
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Structure of a cupin protein Plu4264 from Photorhabdus luminescens subsp. laumondii TTO1 at 1.35 angstrom resolution.
Proteins, 83, 2015
4PYT
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BU of 4pyt by Molmil
Crystal structure of a MurB family EP-UDP-N-acetylglucosamine reductase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Cao, H, Franz, L, Sen, S, Bingman, C.A, Auldridge, M, Steinmetz, E, Mead, D, Phillips Jr, G.N.
Deposit date:2014-03-27
Release date:2014-05-21
Last modified:2023-03-22
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:LucY: A Versatile New Fluorescent Reporter Protein.
Plos One, 10, 2015
4Q31
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BU of 4q31 by Molmil
The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FORMIC ACID, ...
Authors:Tan, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-04-10
Release date:2014-05-07
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural dynamics of a methionine gamma-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate.
Struct Dyn, 3, 2016
4R82
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BU of 4r82 by Molmil
Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 in complex with NAD and FAD fragments
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-08-29
Release date:2014-10-01
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (1.659 Å)
Cite:Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus.
Biochemistry, 55, 2016

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