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PDB: 53012 results

6G6G
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BU of 6g6g by Molmil
Crystal structure of a parallel six-helix coiled coil CC-Type2-FI
Descriptor: CC-Type2-FI
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2018-04-01
Release date:2018-10-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6T0O
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BU of 6t0o by Molmil
Crystal structure of YTHDC1 with fragment 14 (ACA_DC1_004)
Descriptor: 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
7NPS
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BU of 7nps by Molmil
Structure of the periplasmic assembly from the ESX-5 inner membrane complex, C1 model
Descriptor: ESX-5 secretion system ATPase EccB5, Mycosin-5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-05-26
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
7T9Q
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Crystal structure of Crocodile defensin CpoBD13
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, CpoBD13
Authors:Kvansakul, M, Williams, S, Hulett, M.D.
Deposit date:2021-12-19
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crocodile defensin (CpoBD13) antifungal activity via pH-dependent phospholipid targeting and membrane disruption.
Nat Commun, 14, 2023
7NPU
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BU of 7npu by Molmil
MycP5-free ESX-5 inner membrane complex, state I
Descriptor: ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-06-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.48 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
7NPR
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BU of 7npr by Molmil
Structure of an intact ESX-5 inner membrane complex, Composite C3 model
Descriptor: ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5, ...
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-06-02
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
7PX8
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BU of 7px8 by Molmil
CryoEM structure of mammalian acylaminoacyl-peptidase
Descriptor: Acylamino-acid-releasing enzyme
Authors:Kiss-Szeman, A.J, Harmat, V, Menyhard, D.K, Straner, P, Jakli, I, Hosogi, N, Perczel, A.
Deposit date:2021-10-08
Release date:2022-05-25
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structure of acylpeptide hydrolase reveals substrate selection by multimerization and a multi-state serine-protease triad.
Chem Sci, 13, 2022
5MVC
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BU of 5mvc by Molmil
Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds
Descriptor: 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ...
Authors:Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R.
Deposit date:2017-01-16
Release date:2017-03-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
8D3F
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BU of 8d3f by Molmil
Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST
Descriptor: Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST
Authors:Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D.
Deposit date:2022-06-01
Release date:2022-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment.
Nat Commun, 13, 2022
7NPV
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BU of 7npv by Molmil
MycP5-free ESX-5 inner membrane complex, State II
Descriptor: ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-06-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.66 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
8U4W
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BU of 8u4w by Molmil
The crystal structure of a helical domain deleted PARP1 in complex with isoindolinone based inhibitor.
Descriptor: (4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one, Poly [ADP-ribose] polymerase 1, processed C-terminus
Authors:Marcotte, D.J.
Deposit date:2023-09-11
Release date:2024-03-27
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Discovery of Potent Isoindolinone Inhibitors that Target an Active Conformation of PARP1 Using DNA-Encoded Libraries.
Chemmedchem, 19, 2024
8DD8
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BU of 8dd8 by Molmil
PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
5EDU
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BU of 5edu by Molmil
Crystal structure of human histone deacetylase 6 catalytic domain 2 in complex with trichostatin A
Descriptor: Maltose-binding periplasmic protein, Histone deacetylase 6 chimera, POTASSIUM ION, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-22
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
6G2R
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BU of 6g2r by Molmil
Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ...
Authors:Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B.
Deposit date:2018-03-23
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
4WHP
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BU of 4whp by Molmil
Resting Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5
Descriptor: BETA-MERCAPTOETHANOL, BICARBONATE ION, FE (III) ION, ...
Authors:Knoot, C.J, Lipscomb, J.D.
Deposit date:2014-09-23
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase.
Proc.Natl.Acad.Sci.USA, 112, 2015
5AFM
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BU of 5afm by Molmil
alpha7-AChBP in complex with lobeline and fragment 4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, ACETYLCHOLINE-BINDING PROTEIN, ...
Authors:Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
Deposit date:2015-01-22
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
5MA4
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BU of 5ma4 by Molmil
GFP-binding DARPin fusion gc_K7
Descriptor: Green fluorescent protein, K7
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
4WTD
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BU of 4wtd by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH ADP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AUAAAUUU
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Edwards, T.E, Fox III, D, Appleby, T.C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
2V3F
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BU of 2v3f by Molmil
acid-beta-glucosidase produced in carrot
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUCOSYLCERAMIDASE, SULFATE ION, ...
Authors:Shaaltiel, Y, Bartfeld, D, Hashmueli, S, Baum, G, Brill-Almon, E, Galili, G, Dym, O, Boldin-Adamsky, S.A, Silman, I, Sussman, J.L, Futerman, A.H, Aviezer, D, Israel Structural Proteomics Center (ISPC)
Deposit date:2007-06-17
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Production of Glucocerebrosidase with Terminal Mannose Glycans for Enzyme Replacement Therapy of Gaucher'S Disease Using a Plant Cell System.
Plant Biotechnol.J., 5, 2007
7JH4
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BU of 7jh4 by Molmil
Crystal structure of NAD(P)H-flavin oxidoreductase (NfoR) from S. aureus complexed with reduced FMN and NAD+
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H-dependent oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Zheng, Y, O'Neill, A.G, Beaupre, B.A, Liu, D, Moran, G.R.
Deposit date:2020-07-20
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:NfoR: Chromate Reductase or Flavin Mononucleotide Reductase?
Appl.Environ.Microbiol., 86, 2020
6G6K
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BU of 6g6k by Molmil
The crystal structures of Human MYC:MAX bHLHZip complex
Descriptor: CHLORIDE ION, Myc proto-oncogene protein, Protein max
Authors:Allen, M.D, Zinzalla, G.
Deposit date:2018-04-01
Release date:2019-04-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structures and Nuclear Magnetic Resonance Studies of the Apo Form of the c-MYC:MAX bHLHZip Complex Reveal a Helical Basic Region in the Absence of DNA.
Biochemistry, 58, 2019
5J73
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BU of 5j73 by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
Descriptor: protein design 2L4HC2_9
Authors:Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
Deposit date:2016-04-05
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
7SNV
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BU of 7snv by Molmil
H. neapolitanus carboxysomal rubisco/CsoSCA-peptide (1-50)complex
Descriptor: Carboxysome shell carbonic anhydrase, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain
Authors:Blikstad, C, Dugan, E, Laughlin, T.G, Liu, M, Shoemaker, S, Remis, J, Savage, D.F.
Deposit date:2021-10-28
Release date:2023-05-03
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.07 Å)
Cite:Identification of a carbonic anhydrase-Rubisco complex within the alpha-carboxysome.
Proc.Natl.Acad.Sci.USA, 120, 2023
4WTM
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BU of 4wtm by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-UAGG, RNA PRIMER 5'-PCC, MN2+, AND UDP
Descriptor: CHLORIDE ION, MANGANESE (II) ION, RNA PRIMER CC, ...
Authors:Edwards, T.E, Appleby, T.C, Fox III, D.
Deposit date:2014-10-30
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
3IPT
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BU of 3ipt by Molmil
Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Fenn, T.D, Sigala, P.A, Herschlag, D.
Deposit date:2009-08-18
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Dissecting the paradoxical effects of hydrogen bond mutations in the ketosteroid isomerase oxyanion hole.
Proc.Natl.Acad.Sci.USA, 107, 2010

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