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PDB: 42391 results

7Q50
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BU of 7q50 by Molmil
human Gid4 bound to a Phe/N-peptide
Descriptor: FDVSWFMG peptide, Glucose-induced degradation protein 4 homolog
Authors:Chrustowicz, J, Sherpa, D, Loke, M.S, Prabu, J.R, Schulman, B.A.
Deposit date:2021-11-02
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Multifaceted N-Degron Recognition and Ubiquitylation by GID/CTLH E3 Ligases.
J.Mol.Biol., 434, 2022
7PYT
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BU of 7pyt by Molmil
Benzoylsuccinyl-CoA thiolase with coenzyme A
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Benzoylsuccinyl-CoA thiolase subunit, ...
Authors:Ermler, U, Heider, J, Weidenweber, S, Demmer, U.
Deposit date:2021-10-11
Release date:2022-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Finis tolueni: a new type of thiolase with an integrated Zn-finger subunit catalyzes the final step of anaerobic toluene metabolism.
Febs J., 289, 2022
6XSW
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BU of 6xsw by Molmil
Structure of the Notch3 NRR in complex with an antibody Fab Fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-N3 Fab Heavy Chain, ...
Authors:Bard, J.
Deposit date:2020-07-16
Release date:2021-07-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
8CDQ
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Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S
Descriptor: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ...
Authors:Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A.
Deposit date:2023-01-31
Release date:2023-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
7PU6
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BU of 7pu6 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF OCTYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: Esterase, GLYCEROL, hexyl(octoxy)phosphinic acid
Authors:Cea Rama, I, Sanz-Aparicio, J.
Deposit date:2021-09-28
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
4UAB
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BU of 4uab by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine
Descriptor: CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-08-08
Release date:2014-09-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
7PP9
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BU of 7pp9 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Authors:Leitans, J, Tars, K, Dvinskis, E.
Deposit date:2021-09-13
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PP3
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BU of 7pp3 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Esterase, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2021-09-13
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
4UOI
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BU of 4uoi by Molmil
Unexpected structure for the N-terminal domain of Hepatitis C virus envelope glycoprotein E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GENOME POLYPROTEIN
Authors:El Omari, K, Iourin, O, Kadlec, J, Harlos, K, Grimes, J.M, Stuart, D.I.
Deposit date:2014-06-04
Release date:2014-08-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Unexpected Structure for the N-Terminal Domain of Hepatitis C Virus Envelope Glycoprotein E1
Acta Crystallogr.,Sect.D, 70, 2014
6V9C
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BU of 6v9c by Molmil
Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide, SULFATE ION
Authors:Liu, J, Liu, H.
Deposit date:2019-12-13
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma.
Acs Med.Chem.Lett., 11, 2020
7PP8
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BU of 7pp8 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2021-09-13
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
4UOC
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BU of 4uoc by Molmil
Competence or damage-inducible protein CinA from Thermus thermophilus
Descriptor: CINA, NICOTINATE MONONUCLEOTIDE
Authors:Derrick, J, Karuppiah, V.
Deposit date:2014-06-02
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure and Mechanism of the Bifunctional Cina Enzyme from Thermus Thermophilus
J.Biol.Chem., 289, 2014
7TAE
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BU of 7tae by Molmil
Crystal Structure of the NPR1-Interacting Domain of TGA3
Descriptor: GLYCEROL, PALMITIC ACID, Transcription factor TGA3
Authors:Cheng, J, Zhou, P.
Deposit date:2021-12-20
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
6YJ5
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BU of 6yj5 by Molmil
Focused refinement cryo-EM structure of the yeast mitochondrial complex I sub-stoichiometric sulfur transferase subunit
Descriptor: Rhodanese-like domain-containing protein
Authors:Hirst, J, Grba, D.
Deposit date:2020-04-02
Release date:2020-08-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
7QBN
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BU of 7qbn by Molmil
Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303
Descriptor: (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Benysek, J, Busa, M, Mares, M.
Deposit date:2021-11-19
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
J Enzyme Inhib Med Chem, 37, 2022
7QBL
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BU of 7qbl by Molmil
Structure of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602
Descriptor: Cathepsin K, ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
Authors:Benysek, J, Busa, M, Mares, M.
Deposit date:2021-11-19
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
J Enzyme Inhib Med Chem, 37, 2022
7QBM
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BU of 7qbm by Molmil
Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602
Descriptor: ACETATE ION, Cathepsin K, MAGNESIUM ION, ...
Authors:Benysek, J, Busa, M, Mares, M.
Deposit date:2021-11-19
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
J Enzyme Inhib Med Chem, 37, 2022
7QBO
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BU of 7qbo by Molmil
Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303
Descriptor: (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Benysek, J, Busa, M, Mares, M.
Deposit date:2021-11-19
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
J Enzyme Inhib Med Chem, 37, 2022
5CNA
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BU of 5cna by Molmil
REFINED STRUCTURE OF CONCANAVALIN A COMPLEXED WITH ALPHA-METHYL-D-MANNOPYRANOSIDE AT 2.0 ANGSTROMS RESOLUTION AND COMPARISON WITH THE SACCHARIDE-FREE STRUCTURE
Descriptor: CALCIUM ION, CHLORIDE ION, CONCANAVALIN A, ...
Authors:Naismith, J.H, Emmerich, C, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Raftery, J, Kalb(Gilboa), A.J, Yariv, J.
Deposit date:1994-02-11
Release date:1994-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure.
Acta Crystallogr.,Sect.D, 50, 1994
4UR9
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BU of 4ur9 by Molmil
Structure of ligand bound glycosylhydrolase
Descriptor: 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
Authors:Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E.
Deposit date:2014-06-27
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
7PI9
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BU of 7pi9 by Molmil
70S ribosome with EF-Tu-tRNA and P-site tRNA in spectinomycin-treated Mycoplasma pneumoniae cells
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Xue, L, Lenz, S, Rappsilber, J, Mahamid, J.
Deposit date:2021-08-19
Release date:2022-05-25
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Visualizing translation dynamics at atomic detail inside a bacterial cell.
Nature, 610, 2022
7PHC
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BU of 7phc by Molmil
70S ribosome with A*- and P/E-site tRNAs in chloramphenicol-treated Mycoplasma pneumoniae cells
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Xue, L, Lenz, S, Rappsilber, J, Mahamid, J.
Deposit date:2021-08-16
Release date:2022-05-25
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (9.9 Å)
Cite:Visualizing translation dynamics at atomic detail inside a bacterial cell.
Nature, 610, 2022
7PIB
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BU of 7pib by Molmil
70S ribosome with EF-G, A/P- and P/E-site tRNAs in spectinomycin-treated Mycoplasma pneumoniae cells
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Xue, L, Lenz, S, Rappsilber, J, Mahamid, J.
Deposit date:2021-08-19
Release date:2022-05-25
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Visualizing translation dynamics at atomic detail inside a bacterial cell.
Nature, 610, 2022
8FMA
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BU of 8fma by Molmil
Nodavirus RNA replication proto-crown, detergent-solubliized C11 multimer
Descriptor: RNA-directed RNA polymerase
Authors:Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P.
Deposit date:2022-12-22
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching.
Proc.Natl.Acad.Sci.USA, 120, 2023
4X5Z
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BU of 4x5z by Molmil
menin in complex with MI-136
Descriptor: 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
Deposit date:2014-12-06
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015

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