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5DDS
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BU of 5dds by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP
Descriptor: ACETIC ACID, CrmG, GLYCEROL, ...
Authors:Xu, J, Feng, Z, Liu, J.
Deposit date:2015-08-25
Release date:2016-08-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
8PG6
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BU of 8pg6 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2754
Descriptor: 7-[(1~{S})-1-[3-(3-azanylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2754
To Be Published
8PG5
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BU of 8pg5 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2731
Descriptor: 3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(piperidin-4-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2731
To Be Published
8PGI
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BU of 8pgi by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2984
Descriptor: 7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2984
To Be Published
8D6J
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BU of 8d6j by Molmil
Human Ago2 bound to miR122(21nt) with PIWI loop swapped to AtAgo10 sequence
Descriptor: MAGNESIUM ION, Protein argonaute-2, RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
Authors:Xiao, Y, MacRae, I.
Deposit date:2022-06-06
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A tiny loop in the Argonaute PIWI domain tunes small RNA seed strength.
Embo Rep., 24, 2023
5LJ4
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BU of 5lj4 by Molmil
Crystal structure of DNA duplex containing ZP base pair
Descriptor: CALCIUM ION, ODN2
Authors:Agnew, C.R.J, Brady, R.L.
Deposit date:2016-07-17
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural Basis of the Mispairing of an Artificially Expanded Genetic Information System
Chem, 1, 2016
8PGY
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BU of 8pgy by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3462
Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-methoxy-5-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3462
To Be Published
8PGM
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BU of 8pgm by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3062
Descriptor: 3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ...
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3062
To Be Published
5LJ9
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BU of 5lj9 by Molmil
Structure of the E. coli MacB ABC domain (C2221)
Descriptor: Macrolide export ATP-binding/permease protein MacB
Authors:Crow, A.
Deposit date:2016-07-18
Release date:2017-11-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6N0Z
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BU of 6n0z by Molmil
Crystal structure of Anaerolinea thermophila mevalonate 5-phosphate decarboxylase N20K H194M mutant complexed with (R)-MVAPP
Descriptor: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, Diphosphomevalonate decarboxylase
Authors:Noel, J.P, Thomas, S.T, Louie, G.V.
Deposit date:2018-11-07
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate Specificity and Engineering of Mevalonate 5-Phosphate Decarboxylase.
Acs Chem.Biol., 14, 2019
5D7I
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BU of 5d7i by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT M33.64 TCR
Descriptor: Beta-2-microglobulin, GLYCEROL, M33.64 TCR Alpha Chain, ...
Authors:Keller, A.N, Woolley, R.E, Rossjohn, J.
Deposit date:2015-08-14
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
8PJX
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BU of 8pjx by Molmil
Crystal structure of the computationally designed SAKe6FR protein
Descriptor: CALCIUM ION, SAKe6FR
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8D1Y
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BU of 8d1y by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with Trans-Zeatin Riboside
Descriptor: Chaperone DnaK, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8PGZ
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BU of 8pgz by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3528
Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3528
To Be Published
8PKB
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BU of 8pkb by Molmil
Staphylococcus aureus endonuclease IV with bound phosphate
Descriptor: CHLORIDE ION, FE (III) ION, PHOSPHATE ION, ...
Authors:Saper, M, Kirillov, S, Rouvinski, A.
Deposit date:2023-06-26
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
5D8P
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BU of 5d8p by Molmil
2.35A resolution structure of iron bound BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
Descriptor: ACETATE ION, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
6N7Q
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BU of 6n7q by Molmil
Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to cyclised RON2 peptide
Descriptor: Apical membrane antigen-1, RON2 peptide
Authors:McGowan, S, Drinkwater, N.
Deposit date:2018-11-28
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe.
ChemMedChem, 14, 2019
5LJZ
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BU of 5ljz by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
8PJT
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BU of 8pjt by Molmil
Crystal structure of the computationally designed SAKe6DEref protein
Descriptor: SAKe6DEref
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8CXK
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BU of 8cxk by Molmil
Structure of the C. elegans HIM-3 R93Y mutant
Descriptor: HORMA domain-containing protein
Authors:Ego, K.M, Russo, A, Giacopazzi, S, Deshong, A, Menon, M, Ortiz, V, Bhalla, N, Corbett, K.D.
Deposit date:2022-05-21
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The conserved AAA ATPase PCH-2 distributes its regulation of meiotic prophase events through multiple meiotic HORMADs in C. elegans.
Plos Genet., 19, 2023
5LK9
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BU of 5lk9 by Molmil
Dehaloperoxidase B from Amphitrite ornata: indazole complex
Descriptor: 1H-indazole, Dehaloperoxidase B, GLYCEROL, ...
Authors:Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
Deposit date:2016-07-21
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Dehaloperoxidase B from Amphitrite ornata: indazole complex
to be published
8PNX
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BU of 8pnx by Molmil
Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens in PMP form
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, ...
Authors:Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O.
Deposit date:2023-07-03
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines
To Be Published
8D7M
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BU of 8d7m by Molmil
Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide
Descriptor: Casein kinase I isoform delta, Period circadian protein homolog 2 peptide
Authors:Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L.
Deposit date:2022-06-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
5LQQ
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BU of 5lqq by Molmil
Structure of Autotaxin (ENPP2) with LM350
Descriptor: 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2016-08-17
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
8D7O
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BU of 8d7o by Molmil
Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide
Descriptor: Casein kinase I isoform delta, Period circadian protein homolog 2 peptide
Authors:Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L.
Deposit date:2022-06-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023

225681

數據於2024-10-02公開中

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