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6SS4
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BU of 6ss4 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021181
Descriptor: Arginase-2, mitochondrial, Fab C0021181 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
5KKY
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BU of 5kky by Molmil
Structure of Streptococcus pneumonia NanA bound with inhibitor 9N3Neu5Ac2en
Descriptor: 5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid, CHLORIDE ION, Sialidase A
Authors:Shi, D, Zhao, G.
Deposit date:2016-06-23
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Synthesis of selective inhibitors against S. pneumoniae and V. cholerae sialidases
To Be Published
6MIH
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BU of 6mih by Molmil
Crystal structure of host-guest complex with PC hachimoji DNA
Descriptor: DNA (5'-D(*CP*TP*TP*AP*(1WA)P*CP*(DB)P*T)-3'), DNA (5'-D(P*AP*(DS)P*GP*(1W5)P*TP*AP*AP*G)-3'), N-terminal fragment of MMLV reverse transcriptase
Authors:Georgiadis, M.M.
Deposit date:2018-09-19
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
3E4A
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BU of 3e4a by Molmil
Human IDE-inhibitor complex at 2.6 angstrom resolution
Descriptor: 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, HYDROXAMATE PEPTIDE II1, ...
Authors:Malito, E, Leissring, M.A, Choi, S, Cuny, G.D, Tang, W.J.
Deposit date:2008-08-11
Release date:2009-05-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Designed inhibitors of insulin-degrading enzyme regulate the catabolism and activity of insulin.
Plos One, 5, 2010
1KMZ
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BU of 1kmz by Molmil
MOLECULAR BASIS OF MITOMYCIN C RESICTANCE IN STREPTOMYCES: CRYSTAL STRUCTURES OF THE MRD PROTEIN WITH AND WITHOUT A DRUG DERIVATIVE
Descriptor: mitomycin-binding protein
Authors:Martin, T.W, Dauter, Z, Devedjiev, Y, Sheffield, P, Jelen, F, He, M, Sherman, D, Otlewski, J, Derewenda, Z.S, Derewenda, U.
Deposit date:2001-12-17
Release date:2002-07-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis of mitomycin C resistance in streptomyces: structure and function of the MRD protein.
Structure, 10, 2002
9F5P
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BU of 9f5p by Molmil
Poliovirus type 2 (strain MEF-1) stabilised virus-like particle (PV2 SC6b) from an insect cell expression system.
Descriptor: Capsid protein VP0, Capsid protein VP1, Capsid protein VP3, ...
Authors:Bahar, M.W, Porta, C, Fry, E.E, Stuart, D.I.
Deposit date:2024-04-29
Release date:2025-01-29
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Recombinant expression systems for production of stabilised virus-like particles as next-generation polio vaccines.
Nat Commun, 16, 2025
8RGM
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BU of 8rgm by Molmil
Cryo-EM structure of nucleosome containing Widom603 DNA
Descriptor: Histone H2A type 1-B/E, Histone H2B type 1-J, Histone H3.1, ...
Authors:Motorin, N.A, Afonin, D, Armeev, G.A, Moiseenko, A, Zhao, L, Vasiliev, V, Oleinikov, P, Shaytan, A, Shi, X, Studitsky, V, Sokolova, O.
Deposit date:2023-12-14
Release date:2025-01-01
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure and dynamics of a nucleosome core particle based on Widom 603 DNA sequence.
Structure, 33, 2025
6IFF
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BU of 6iff by Molmil
Crystal structure of M1 zinc metallopeptidase E323A mutant from Deinococcus radiodurans
Descriptor: SODIUM ION, TYROSINE, ZINC ION, ...
Authors:Agrawal, R, Kumar, A, Kumar, A, Gaur, N.K, Makde, R.D.
Deposit date:2018-09-20
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
5KNS
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BU of 5kns by Molmil
E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]hypoxanthine
Descriptor: (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ...
Authors:Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z.
Deposit date:2016-06-28
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
7E9S
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BU of 7e9s by Molmil
Archaeal oligosaccharyltransferase AglB from Archaeoglobus fulgidus in complex with an inhibitory peptide and a dolichol-phosphate
Descriptor: (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, DI(HYDROXYETHYL)ETHER, Dolichyl-phosphooligosaccharide-protein glycotransferase 3, ...
Authors:Taguchi, Y, Hirata, K, Kohda, D.
Deposit date:2021-03-05
Release date:2021-09-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of an archaeal oligosaccharyltransferase provides insight into the strict exclusion of proline from the N-glycosylation sequon.
Commun Biol, 4, 2021
4NF7
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BU of 4nf7 by Molmil
Crystal structure of the GH5 family catalytic domain of Endo-1,4-beta-glucanase Cel5C from Butyrivibrio proteoclasticus.
Descriptor: Endo-1,4-beta-glucanase Cel5C
Authors:Lott, J.S, Colbert, D.A.
Deposit date:2013-10-30
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Structural and functional characterisation of endo-1,4-beta-glucanase Cel5C from bovine rumen microbe Butyrivibrio proteoclasticus
To be Published
9FRD
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BU of 9frd by Molmil
Wildtype EGFR bound with Compound 23
Descriptor: (7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ...
Authors:Pagliarini, A.R, Milgram, B.C, Borrelli, D.R, OHearn, E, Huff, M.R, Ladd, B, Brooijmans, N, Henderson, J.A, Hilbert, B.J, Wang, W, Ito, T.
Deposit date:2024-06-18
Release date:2025-01-29
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of STX-721, a Covalent, Potent, and Highly Mutant-Selective EGFR/HER2 Exon20 Insertion Inhibitor for the Treatment of Non-Small Cell Lung Cancer.
J.Med.Chem., 68, 2025
3VTX
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BU of 3vtx by Molmil
Crystal structure of MamA protein
Descriptor: GLYCEROL, MamA
Authors:Zeytuni, N, Baran, D, Davidov, G, Zarivach, R.
Deposit date:2012-06-08
Release date:2012-10-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inter-phylum structural conservation of the magnetosome-associated TPR-containing protein, MamA
J.Struct.Biol., 180, 2012
5HI1
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BU of 5hi1 by Molmil
Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35
Descriptor: ACETATE ION, Immunoglobulin G-binding protein G
Authors:Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
Deposit date:2016-01-11
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
7WJH
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BU of 7wjh by Molmil
Crystal structure of Bcl-xL bound to the BH3 domain of human Pxt1
Descriptor: Bcl-2-like protein 1, MAGNESIUM ION, Peroxisomal testis-specific protein 1, ...
Authors:Lim, D, Ku, B.
Deposit date:2022-01-06
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Structural and biochemical analyses of Bcl-xL in complex with the BH3 domain of peroxisomal testis-specific 1.
Biochem.Biophys.Res.Commun., 625, 2022
6VI3
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BU of 6vi3 by Molmil
Straight Filament from Alzheimer's Disease Human Brain Tissue
Descriptor: GLYCINE, Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-11
Release date:2020-04-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains
Cell, 180, 2020
5RLJ
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BU of 5rlj by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1407673036
Descriptor: (2S)-2-phenylpropane-1-sulfonamide, Helicase, PHOSPHATE ION, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-09-16
Release date:2020-09-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.879 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RM2
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BU of 5rm2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527
Descriptor: 1-(diphenylmethyl)azetidin-3-ol, Helicase, PHOSPHATE ION, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-09-16
Release date:2020-09-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
2HBV
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BU of 2hbv by Molmil
Crystal Structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase (ACMSD)
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION
Authors:Martynowski, D, Eyobo, Y, Li, T, Yang, K, Liu, A, Zhang, H.
Deposit date:2006-06-14
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of alpha-Amino-beta-carboxymuconate-epsilon-semialdehyde Decarboxylase: Insight into the Active Site and Catalytic Mechanism of a Novel Decarboxylation Reaction.
Biochemistry, 45, 2006
7W9A
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BU of 7w9a by Molmil
Dynamics of lipid displacement inside the hydrophobic cavity of a non-specific lipid transfer protein from Solanum melongena
Descriptor: LAURIC ACID, Non-specific lipid-transfer protein
Authors:Madni, Z.K, Kumar, A, Salunke, D.M.
Deposit date:2021-12-09
Release date:2022-07-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Dynamics of lipid displacement inside the hydrophobic cavity of a nonspecific lipid transfer protein from Solanum melongena .
J.Biomol.Struct.Dyn., 41, 2023
6B9A
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BU of 6b9a by Molmil
Hsp90-alpha N-domain bound to NPCA
Descriptor: Heat shock protein HSP 90-alpha, N-PROPYL CARBOXYAMIDO ADENOSINE
Authors:Huck, J.D, Gewirth, D.T.
Deposit date:2017-10-10
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65381 Å)
Cite:Hsp90-alpha N-domain bound to NPCA
To Be Published
3W0P
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BU of 3w0p by Molmil
Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-Ia (D198A), ternary complex with ADP and hygromycin B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HYGROMYCIN B VARIANT, Hygromycin-B 4-O-kinase
Authors:Iino, D, Takakura, Y, Fukano, K, Sasaki, Y, Hoshino, T, Ohsawa, K, Nakamura, A, Yajima, S.
Deposit date:2012-11-02
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the ternary complex of APH(4)-Ia/Hph with hygromycin B and an ATP analog using a thermostable mutant.
J.Struct.Biol., 183, 2013
4RU1
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BU of 4ru1 by Molmil
Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus 11B, TARGET EFI-510965, in complex with myo-inositol
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CITRIC ACID, Monosaccharide ABC transporter substrate-binding protein, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siede, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-11-17
Release date:2014-12-17
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus, TARGET EFI-510965.
To be Published
7ZWJ
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BU of 7zwj by Molmil
Triculamin: an Unusual Lasso Peptide with Potent Anti-mycobacterial Activity
Descriptor: Triculamin
Authors:Pedersen, K.D, Gotfredsen, C.H, Torring, T, Juhl, D.W.
Deposit date:2022-05-19
Release date:2022-07-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Triculamin: An Unusual Lasso Peptide with Potent Antimycobacterial Activity.
J.Nat.Prod., 85, 2022
6PIC
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BU of 6pic by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-amino-N-hydroxyhexanamide
Descriptor: 6-amino-N-hydroxyhexanamide, Acetylpolyamine Amidohydrolase, MAGNESIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-26
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019

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