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PDB: 89472 results

6ZIJ
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BU of 6zij by Molmil
Crystal Structure of Two-Domain Laccase mutant R240H from Streptomyces griseoflavus
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A.
Deposit date:2020-06-26
Release date:2021-05-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The role of positive charged residue in the proton-transfer mechanism of two-domain laccase from Streptomyces griseoflavus Ac-993.
J.Biomol.Struct.Dyn., 40, 2022
6XCB
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BU of 6xcb by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
Descriptor: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
5MG2
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BU of 5mg2 by Molmil
Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe
Descriptor: 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1
Authors:Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC)
Deposit date:2016-11-20
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
5WE0
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BU of 5we0 by Molmil
Structural Basis for Shelterin Bridge Assembly
Descriptor: DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ...
Authors:Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F.
Deposit date:2017-07-06
Release date:2017-12-20
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
5FPX
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BU of 5fpx by Molmil
The structure of KdgF from Yersinia enterocolitica.
Descriptor: NICKEL (II) ION, PECTIN DEGRADATION PROTEIN, PEPTIDE
Authors:Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B.
Deposit date:2015-12-03
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate.
Proc.Natl.Acad.Sci.USA, 113, 2016
5MHO
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BU of 5mho by Molmil
FXIIIa in complex with the inhibitor ZED2369
Descriptor: CALCIUM ION, Coagulation factor XIII A chain, SULFATE ION, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:FXIIIa in complex with the inhibitor ZED2369
To Be Published
1NQT
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BU of 1nqt by Molmil
Crystal structure of bovine Glutamate dehydrogenase-ADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1
Authors:Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J.
Deposit date:2003-01-23
Release date:2003-05-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation
Biochemistry, 42, 2003
8QAQ
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BU of 8qaq by Molmil
Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. Conformation 1 of omphalotin A in apolar solvents.
Descriptor: TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR
Authors:Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
Deposit date:2023-08-23
Release date:2023-12-06
Last modified:2024-01-03
Method:SOLUTION NMR
Cite:Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
6RVU
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BU of 6rvu by Molmil
Crystal structure of the Burkholderia Lethal Factor 1 (BLF1)
Descriptor: 1,2-ETHANEDIOL, Lethal Factor 1 (BLF1)
Authors:Mobbs, G.W, Aziz, A.A, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W.
Deposit date:2019-06-01
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
7TR8
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BU of 7tr8 by Molmil
Cascade complex from type I-A CRISPR-Cas system
Descriptor: CRISPR-associated endonuclease Cas3-HD, CRISPR-associated helicase Cas3, Cas11a, ...
Authors:Hu, C, Ni, D, Nam, K.H, Majumdar, S, McLean, J, Stahlberg, H, Terns, M, Ke, A.
Deposit date:2022-01-28
Release date:2022-08-10
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Allosteric control of type I-A CRISPR-Cas3 complexes and establishment as effective nucleic acid detection and human genome editing tools.
Mol.Cell, 82, 2022
7TR9
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BU of 7tr9 by Molmil
Cascade complex from type I-A CRISPR-Cas system
Descriptor: CRISPR-associated endonuclease Cas3-HD, CRISPR-associated helicase Cas3, Cas11a, ...
Authors:Hu, C, Ni, D, Nam, K.H, Majumdar, S, McLean, J, Stahlberg, H, Terns, M, Ke, A.
Deposit date:2022-01-28
Release date:2022-08-10
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Allosteric control of type I-A CRISPR-Cas3 complexes and establishment as effective nucleic acid detection and human genome editing tools.
Mol.Cell, 82, 2022
6UAM
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BU of 6uam by Molmil
Apo-form Dimer of Y77A Mutant Putative Ryanodine Receptor from Bacteroides thetaiotaomicron VPI-5482
Descriptor: CITRIC ACID, GLYCEROL, Putative ryanodine receptor
Authors:Wu, R, Joachimiak, A, Jedrzejczak, R, Midwest Center for Structural Genomics (MCSG)
Deposit date:2019-09-11
Release date:2020-08-05
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Apo-form Dimer of Y77A Mutant Putative Ryanodine Receptor from Bacteroides thetaiotaomicron VPI-5482
To Be Published
8AWW
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BU of 8aww by Molmil
Transthyretin conjugated with a tafamidis derivative
Descriptor: Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
Authors:Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M.
Deposit date:2022-08-30
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
5MKM
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BU of 5mkm by Molmil
Crystal Structure of Two-Domain Laccase mutant H165F from Streptomyces griseoflavus
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V.
Deposit date:2016-12-05
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
6OBI
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BU of 6obi by Molmil
Remarkable rigidity of the single alpha-helical domain of myosin-VI revealed by NMR spectroscopy
Descriptor: Myosin-VI
Authors:Barnes, A, Shen, Y, Ying, J, Takagi, Y, Torchia, D.A, Sellers, J, Bax, A.
Deposit date:2019-03-20
Release date:2019-06-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Remarkable Rigidity of the Single alpha-Helical Domain of Myosin-VI As Revealed by NMR Spectroscopy.
J.Am.Chem.Soc., 141, 2019
6YX9
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BU of 6yx9 by Molmil
Cryogenic human adiponectin receptor 2 (ADIPOR2) at 2.4 A resolution determined by Serial Crystallography (SSX) using CrystalDirect
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, GLYCEROL, ...
Authors:Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A.
Deposit date:2020-04-30
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
6ROH
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BU of 6roh by Molmil
Cryo-EM structure of the autoinhibited Drs2p-Cdc50p
Descriptor: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
6IGR
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BU of 6igr by Molmil
Crystal structure of S9 peptidase (S514A mutant in inactive state) from Deinococcus radiodurans R1
Descriptor: Acyl-peptide hydrolase, putative, GLYCEROL
Authors:Yadav, P, Gaur, N.K, Goyal, V.D, Kumar, A, Makde, R.D.
Deposit date:2018-09-25
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
3OFG
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BU of 3ofg by Molmil
Structured Domain of Caenorhabditis elegans BMY-1
Descriptor: Boca/mesd chaperone for ywtd beta-propeller-egf protein 1, CHLORIDE ION
Authors:Collins, M.N, Hendrickson, W.A.
Deposit date:2010-08-14
Release date:2011-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.367 Å)
Cite:Structural Characterization of the Boca/Mesd Maturation Factors for LDL-Receptor-Type beta-Propeller Domains
Structure, 2011
6YXD
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BU of 6yxd by Molmil
Room temperature structure of human adiponectin receptor 2 (ADIPOR2) at 2.9 A resolution determined by Serial Crystallography (SSX) using CrystalDirect
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, GLYCEROL, ...
Authors:Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A.
Deposit date:2020-05-01
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
7U8Z
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BU of 7u8z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ACETATE ION, ...
Authors:Watson, P.R, Cragin, A.D, Christianson, D.W.
Deposit date:2022-03-09
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.
J.Med.Chem., 65, 2022
6AX2
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BU of 6ax2 by Molmil
Solution structure of Magi3 a specific insect toxin from the spider Macrothele gigas
Descriptor: Mu-hexatoxin-Mg2a
Authors:del Rio-Portilla, F, Titaux-Delgado, G.A, Escobedo-Gonzalez, F.C.
Deposit date:2017-09-06
Release date:2018-01-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Successful refolding and NMR structure of rMagi3: A disulfide-rich insecticidal spider toxin.
Protein Sci., 27, 2018
8DRD
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BU of 8drd by Molmil
Ni(II)-bound B2 dimer (H60/H100/H104)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, HEME C, NICKEL (II) ION, ...
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2022-07-20
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
6BF2
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BU of 6bf2 by Molmil
Solution structure of a Bcl-xL S62E mutant
Descriptor: Bcl-2-like protein 1
Authors:Viacava Follis, A, Phillips, A, Kriwacki, R.W.
Deposit date:2017-10-25
Release date:2017-11-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Regulation of apoptosis by an intrinsically disordered region of Bcl-xL.
Nat. Chem. Biol., 14, 2018
3R15
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BU of 3r15 by Molmil
Structure Treponema Denticola Factor H Binding Protein
Descriptor: Factor H binding protein, THIOCYANATE ION
Authors:Miller, D.P, McDowell, J.V, Burgner, J, Heroux, A, Bell, J.K, Marconi, R.T.
Deposit date:2011-03-09
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Structure Treponema Denticola Factor H Binding Protein
To be Published

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