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6Q9T
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BU of 6q9t by Molmil
Protein-aromatic foldamer complex crystal structure
Descriptor: Aromatic foldamer, Carbonic anhydrase 2, ZINC ION
Authors:Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I.
Deposit date:2018-12-18
Release date:2019-09-18
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.
Chemistry, 25, 2019
6VKX
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BU of 6vkx by Molmil
Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851
Descriptor: DI(HYDROXYETHYL)ETHER, Outer capsid protein VP4, TETRAETHYLENE GLYCOL
Authors:Xu, S, McGinnis, K.R, Jiang, X, Kennedy, M.A.
Deposit date:2020-01-22
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VJC
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BU of 6vjc by Molmil
LmFPPS mutant T164Y in complex with 476A, IPP & Ca
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
Deposit date:2020-01-15
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
6QMQ
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BU of 6qmq by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
Descriptor: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ...
Authors:Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
Deposit date:2019-02-08
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
4J5B
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BU of 4j5b by Molmil
Human Cyclophilin D Complexed with an Inhibitor
Descriptor: 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
Deposit date:2013-02-08
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
6QQ8
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BU of 6qq8 by Molmil
Cryogenic temperature structure of the fluorescent protein Cerulean recorded after an accumulated dose of 290 kGy
Descriptor: Green fluorescent protein
Authors:Gotthard, G, Aumonier, S, Royant, A.
Deposit date:2019-02-18
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
3HR4
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BU of 3hr4 by Molmil
Human iNOS Reductase and Calmodulin Complex
Descriptor: CALCIUM ION, Calmodulin, FLAVIN MONONUCLEOTIDE, ...
Authors:Xia, C, Misra, I, Iyanaki, T, Kim, J.J.K.
Deposit date:2009-06-08
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of Interdomain Interactions by CaM in Inducible Nitric Oxide Synthase
J.Biol.Chem., 2009
3JTS
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BU of 3jts by Molmil
GY9-Mamu-A*02-hb2m
Descriptor: Beta-2-microglobulin, MHC class I Mamu-A*02, peptide of Gag-Pol polyprotein
Authors:Dai, L, Feng, Y, Qi, J, Gao, G.F.
Deposit date:2009-09-14
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structure of Mamu A*2
To be Published
6TH1
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BU of 6th1 by Molmil
IE1 from rat cytomegalovirus
Descriptor: Immediate early protein 1
Authors:Schweininger, J, Muller, Y.A.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Cytomegalovirus immediate-early 1 proteins form a structurally distinct protein class with adaptations determining cross-species barriers.
Plos Pathog., 17, 2021
6T4W
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BU of 6t4w by Molmil
ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand Glenmark
Descriptor: (3alpha,8alpha)-cholest-5-ene-3,20-diol, 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
3JZR
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BU of 3jzr by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W)
Descriptor: E3 ubiquitin-protein ligase Mdm2, pDI6W peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
6T3J
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BU of 6t3j by Molmil
Dual Epitope Targeting by Anti-DR5 Antibodies
Descriptor: IgG1-hDR5-01-Heavy Chain, IgG1-hDR5-01-Light Chain, IgG1-hDR5-05-Heavy Chain, ...
Authors:Tauchert, M.J, Augustin, M, Krapp, S, Overdijk, M.B, Breij, E.C.W, Hibbert, R.G.
Deposit date:2019-10-11
Release date:2020-09-16
Last modified:2020-10-14
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Dual Epitope Targeting and Enhanced Hexamerization by DR5 Antibodies as a Novel Approach to Induce Potent Antitumor Activity Through DR5 Agonism.
Mol.Cancer Ther., 19, 2020
3X3M
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BU of 3x3m by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121
Descriptor: CALCIUM ION, ESX-1 secretion system protein EccB1
Authors:Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
Deposit date:2015-01-24
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
3K7J
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BU of 3k7j by Molmil
Crystal structure of the D100E mutant of the Indian Hedgehog N-terminal signalling domain
Descriptor: CARBONATE ION, Indian hedgehog protein, SULFATE ION, ...
Authors:He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
Deposit date:2009-10-13
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the D100E mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
6TFN
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BU of 6tfn by Molmil
Linalool Dehydratase Isomerase in complex with Myrcene
Descriptor: 7-methyl-3-methylidene-oct-1-ene, Linalool dehydratase-isomerase protein LDI
Authors:Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
Deposit date:2019-11-14
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
3DUR
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BU of 3dur by Molmil
Crystal structure of SAG173-04
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
Authors:Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
Deposit date:2008-07-17
Release date:2008-12-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
4LU1
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BU of 4lu1 by Molmil
Crystal structure of the uncharacterized Maf protein YceF from E. coli, mutant D69A
Descriptor: Maf-like protein YceF, UNKNOWN ATOM OR ION
Authors:Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A, Structural Genomics Consortium (SGC)
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
5T26
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BU of 5t26 by Molmil
Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P.
Deposit date:2016-08-23
Release date:2016-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
To Be Published
6TLB
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BU of 6tlb by Molmil
Plasmodium falciparum lipocalin (PF3D7_0925900)
Descriptor: GLYCEROL, SODIUM ION, Serine/threonine protein kinase
Authors:Burda, P.C, Crosskey, T.D, Lauk, K, Wilmanns, M, Gilberger, T.W.
Deposit date:2019-12-02
Release date:2020-06-24
Last modified:2024-01-24
Method:SOLUTION SCATTERING (2.85 Å), X-RAY DIFFRACTION
Cite:Structure-Based Identification and Functional Characterization of a Lipocalin in the Malaria Parasite Plasmodium falciparum.
Cell Rep, 31, 2020
6VWI
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BU of 6vwi by Molmil
Head region of the closed conformation of the human type 1 insulin-like growth factor receptor ectodomain in complex with human insulin-like growth factor II.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor II, Leucine-zippered human type 1 insulin-like growth factor receptor ectodomain
Authors:Xu, Y, Kirk, N.S, Lawrence, M.C, Croll, T.I.
Deposit date:2020-02-19
Release date:2020-05-13
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:How IGF-II Binds to the Human Type 1 Insulin-like Growth Factor Receptor.
Structure, 28, 2020
6R78
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BU of 6r78 by Molmil
Structure of IMP-13 metallo-beta-lactamase in apo form (loop closed)
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Beta-lactamase, ...
Authors:Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M.
Deposit date:2019-03-28
Release date:2020-04-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
6RCV
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BU of 6rcv by Molmil
PfRH5 bound to monoclonal antibodies R5.011 and R5.016
Descriptor: R5.011 heavy chain, R5.011 light chain, R5.016 heavy chain, ...
Authors:Alanine, D.W.G, Draper, S.J, Higgins, M.K.
Deposit date:2019-04-11
Release date:2019-06-26
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (3.582 Å)
Cite:Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
3HWT
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BU of 3hwt by Molmil
Ternary complex of DNA polymerase lambda bound to a two nucleotide gapped DNA substrate with a scrunched dA
Descriptor: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Pedersen, L.C, Kunkel, T.A.
Deposit date:2009-06-18
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Scrunching during DNA repair synthesis
To be Published
3DUU
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BU of 3duu by Molmil
Crystal structure of SAG506-01, orthorhombic, twinned, crystal 2
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
Authors:Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
Deposit date:2008-07-17
Release date:2008-12-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
4DI1
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BU of 4di1 by Molmil
Crystal structure of enoyl-CoA hydratase EchA17 from Mycobacterium marinum
Descriptor: 1,2-ETHANEDIOL, Enoyl-CoA hydratase EchA17
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-01-30
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

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PDB entries from 2024-08-21

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