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5L43
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BU of 5l43 by Molmil
Structure of K26-DCP
Descriptor: K-26 dipeptidyl carboxypeptidase, MAGNESIUM ION, SULFATE ION, ...
Authors:Masuyer, G, Acharya, K.R, Kramer, G.J, Bachmann, B.O.
Deposit date:2016-05-24
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor.
FEBS J., 283, 2016
7OL8
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BU of 7ol8 by Molmil
Crystal structure of Lysozyme in complex with trifluoroethanol: orthorhombic form
Descriptor: CHLORIDE ION, Lysozyme, SULFATE ION, ...
Authors:Camara-Artigas, A, Salinas-Garcia, M.C, Plaza-Garrido, M.
Deposit date:2021-05-19
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of Lysozyme in complex with TFE
To be published
5L2L
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Nab2 Zn fingers 5-7 bound to A11G RNA
Descriptor: Nab2p, RNA (5'-R(*AP*AP*AP*AP*AP*AP*AP*AP*AP*G)-3'), ZINC ION
Authors:Stewart, M, Aibara, S.
Deposit date:2016-08-02
Release date:2016-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the dimerization of Nab2 generated by RNA binding provides insight into its contribution to both poly(A) tail length determination and transcript compaction in Saccharomyces cerevisiae.
Nucleic Acids Res., 45, 2017
7OL6
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BU of 7ol6 by Molmil
Crystal structure of Lysozyme in complex with Imidazole
Descriptor: CHLORIDE ION, IMIDAZOLE, Lysozyme, ...
Authors:Camara-Artigas, A, Salinas-Garcia, M.C, Plaza-Garrido, M.
Deposit date:2021-05-19
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of Lysozyme in complex with Imidazole
To be published
7OMO
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BU of 7omo by Molmil
Crystal structure of coelenteramine-bound Renilla reniformis luciferase RLuc8-D120A variant
Descriptor: 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Schenkmayerova, A, Marek, M.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
5WSB
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BU of 5wsb by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5L3F
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BU of 5l3f by Molmil
LSD1-CoREST1 in complex with polymyxin B
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ...
Authors:Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
Deposit date:2016-04-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
7O1X
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BU of 7o1x by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with 1-phenylimidazole
Descriptor: 1-phenyl-1H-imidazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7OLW
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BU of 7olw by Molmil
Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-N-fucoside ligand
Descriptor: 5-(3-aminophenyl)furan-2-carboxamido-(beta-L-fucopyranose), Lectin
Authors:Bermeo, R, Varrot, A.
Deposit date:2021-05-20
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin.
Acs Chem.Biol., 17, 2022
8CKH
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BU of 8ckh by Molmil
Crystal structure of IspE from Klebsiella pneumoniae
Descriptor: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Hamid, R.
Deposit date:2023-02-15
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of IspE from Klebsiella pneumoniae
To Be Published
5L3T
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BU of 5l3t by Molmil
Structure of the Saccharomyces cerevisiae TREX-2 complex
Descriptor: 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ...
Authors:Stewart, M, Aibara, S.
Deposit date:2016-05-24
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.927 Å)
Cite:The Sac3 TPR-like region in the Saccharomyces cerevisiae TREX-2 complex is more extensive but independent of the CID region.
J. Struct. Biol., 195, 2016
5L4L
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BU of 5l4l by Molmil
polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8
Descriptor: 7-oxo-simocyclinone D8, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
7O2G
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BU of 7o2g by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with styrene
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
5W80
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BU of 5w80 by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
Descriptor: 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2017-06-21
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
To be published
8OQM
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BU of 8oqm by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
6MO6
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BU of 6mo6 by Molmil
Crystal structure of the selenomethionine-substituted human sulfide:quinone oxidoreductase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, ...
Authors:Jackson, M.R, Jorns, M.S, Loll, P.J.
Deposit date:2018-10-04
Release date:2019-04-10
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-Ray Structure of Human Sulfide:Quinone Oxidoreductase: Insights into the Mechanism of Mitochondrial Hydrogen Sulfide Oxidation.
Structure, 27, 2019
5W8M
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BU of 5w8m by Molmil
Crystal structure of Chaetomium thermophilum Vps29
Descriptor: GLYCEROL, TRIETHYLENE GLYCOL, Vacuolar protein sorting-associated protein 29
Authors:Collins, B.M, Leneva, N.
Deposit date:2017-06-21
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure of the membrane-assembled retromer coat determined by cryo-electron tomography.
Nature, 561, 2018
5G15
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BU of 5g15 by Molmil
Structure Aurora A (122-403) bound to activating monobody Mb1 and AMPPCP
Descriptor: AURORA A KINASE, MAGNESIUM ION, MB1 MONOBODY, ...
Authors:Zorba, A, Kutter, S, Kern, D, Koide, S, Koide, A.
Deposit date:2016-03-23
Release date:2018-03-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
5WUF
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BU of 5wuf by Molmil
Structural basis for conductance through TRIC cation channels
Descriptor: CADMIUM ION, Putative membrane protein
Authors:Mao, Y, Gao, F, Su, M, Wang, X.H, Zeng, Y, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2016-12-17
Release date:2017-08-09
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
7NPI
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BU of 7npi by Molmil
Crystal structure of Mindy2 (C266A) in complex with Lys48-linked penta-ubiquitin (K48-Ub5)
Descriptor: CHLORIDE ION, Polyubiquitin-C, SODIUM ION, ...
Authors:Lange, S.M, Armstrong, L.A, Kulathu, Y.
Deposit date:2021-02-26
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Mol.Cell, 81, 2021
5L8F
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BU of 5l8f by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A, E62A, H65A.
Descriptor: MAGNESIUM ION, Rru_A0973, TRIETHYLENE GLYCOL
Authors:He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J.
Deposit date:2016-06-07
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A, E62A, H65A.
To be published
5L92
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BU of 5l92 by Molmil
The 2.1 A crystal structure of CYP109E1 from Bacillus megaterium in complex with corticosterone
Descriptor: CORTICOSTERONE, Cytochrome P450, MALONIC ACID, ...
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2016-06-09
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.
Febs J., 283, 2016
5WSA
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BU of 5wsa by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5F9F
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BU of 5f9f by Molmil
Crystal structure of RIG-I helicase-RD in complex with 24-mer blunt-end hairpin RNA
Descriptor: (R,R)-2,3-BUTANEDIOL, MAGNESIUM ION, Probable ATP-dependent RNA helicase DDX58, ...
Authors:Wang, C, Marcotrigiano, J, Miller, M.T, Jiang, F.
Deposit date:2015-12-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Proc.Natl.Acad.Sci.USA, 113, 2016
6MU5
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BU of 6mu5 by Molmil
Bst DNA polymerase I TNA/DNA binary complex
Descriptor: DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*CP*GP*T)-3'), DNA polymerase I, SULFATE ION, ...
Authors:Jackson, L.N, Chim, N, Chaput, J.C.
Deposit date:2018-10-22
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Crystal structures of a natural DNA polymerase that functions as an XNA reverse transcriptase.
Nucleic Acids Res., 47, 2019

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