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PDB: 89832 results

7AJN
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BU of 7ajn by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
Authors:Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
To Be Published
8GAG
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BU of 8gag by Molmil
Cannabinoid receptor 1-Gi complex with novel ligand
Descriptor: Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tummino, T.A, Iliopoulos-Tsoutsouvas, C, Braz, J.M, O'Brien, E.S, Krishna Kumar, K, Makriyannis, M, Basbaum, A.I, Shoichet, B.K.
Deposit date:2023-02-22
Release date:2024-02-28
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cannabinoid receptor 1-Gi complex with novel ligand
To Be Published
4YDZ
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BU of 4ydz by Molmil
Stress-induced protein 1 from Caenorhabditis elegans
Descriptor: Stress-induced protein 1
Authors:Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J.
Deposit date:2015-02-23
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes.
Mol.Cell, 58, 2015
8DR2
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BU of 8dr2 by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
Descriptor: 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-20
Release date:2022-12-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
1DKH
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BU of 1dkh by Molmil
CRYSTAL STRUCTURE OF THE HEMOPHORE HASA, PH 6.5
Descriptor: HEME-BINDING PROTEIN A, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ...
Authors:Arnoux, P, Haser, R, Izadi-Pruneyre, N, Lecroisey, A, Czjzek, M.
Deposit date:1999-12-07
Release date:2000-12-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms.
Proteins, 41, 2000
6OO3
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BU of 6oo3 by Molmil
Cryo-EM structure of the C4-symmetric TRPV2/RTx complex in amphipol resolved to 2.9 A
Descriptor: TRPV2, resiniferatoxin
Authors:Zubcevic, L, Hsu, A.L, Borgnia, M.J, Lee, S.-Y.
Deposit date:2019-04-22
Release date:2019-05-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Symmetry transitions during gating of the TRPV2 ion channel in lipid membranes.
Elife, 8, 2019
4RRP
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BU of 4rrp by Molmil
Crystal Structure of the Fab complexed with antigen Asf1p, Northeast Structural Genomics Consortium (NESG) Target PdR16
Descriptor: Antigen Asf1p, DI(HYDROXYETHYL)ETHER, Fab antibody, ...
Authors:Kuzin, A, Lew, S, Seetharaman, J, Mao, L, Xiao, R, Oconnell, P.T, Maglaqui, M, Bailey, L, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS), Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-11-06
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structure of the Fab complexed with antigen Asf1p, Northeast Structural Genomics Consortium (NESG) Target PdR16
To be Published
8DKO
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BU of 8dko by Molmil
Minimal PutA proline dehydrogenase domain (design #1) complexed with S-(-)-tetrahydro-2-furoic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, TETRAHYDROFURAN-2-CARBOXYLIC ACID
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2022-07-05
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based engineering of minimal proline dehydrogenase domains for inhibitor discovery.
Protein Eng.Des.Sel., 35, 2022
8DKP
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BU of 8dkp by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with S-(-)-tetrahydro-2-furoic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, TETRAHYDROFURAN-2-CARBOXYLIC ACID
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2022-07-05
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structure-based engineering of minimal proline dehydrogenase domains for inhibitor discovery.
Protein Eng.Des.Sel., 35, 2022
8DRB
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BU of 8drb by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Descriptor: 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-20
Release date:2022-12-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
1D9V
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BU of 1d9v by Molmil
HAEMOPHILUS INFLUENZAE FERRIC-BINDING PROTEIN APO FORM
Descriptor: PHOSPHATE ION, PROTEIN (iron-utilization periplasmic protein)
Authors:McRee, D.E, Bruns, C.M, Williams, P.A.
Deposit date:1999-10-30
Release date:1999-11-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystallographic and biochemical analyses of the metal-free Haemophilus influenzae Fe3+-binding protein.
Biochemistry, 40, 2001
8DPC
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BU of 8dpc by Molmil
Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae
Descriptor: Carbonic anhydrase, SULFATE ION, ZINC ION
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-15
Release date:2022-12-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8QJS
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BU of 8qjs by Molmil
VHL/Elongin B/Elongin C complex with compound 155
Descriptor: (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.191 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
6ORC
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BU of 6orc by Molmil
Crystal structure of Sel1 repeat protein from Oxalobacter formigenes
Descriptor: Sel1 repeat protein
Authors:Chang, C, Tesar, C, Endres, M, Babnigg, G, Hassan, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2019-04-29
Release date:2020-05-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Crystal structure of Sel1 repeat protein from Oxalobacter formigenes
To Be Published
7PDY
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BU of 7pdy by Molmil
A viral peptide from Marek's disease virus bound to chicken MHC-II molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 38 kDa phosphoprotein,MHC class II beta chain, ...
Authors:Goryanin, A, Cook, A.G, Kaufman, J, Halabi, S.
Deposit date:2021-08-09
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Viral peptide bound to chicken MHC-II molecule
To Be Published
6LX7
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BU of 6lx7 by Molmil
X-ray structure of human PPARalpha ligand binding domain-stearic acid co-crystals obtained by delipidation and cross-seeding
Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor alpha, STEARIC ACID
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
4RPE
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BU of 4rpe by Molmil
Crystal Structure of Variant G186E from Pseudomonas Aeruginosa Lipoxygenase 2 at 1.60A (C2)
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, FE (II) ION, Linoleate 9/13-lipoxygenase
Authors:Carpena, X, Garreta, A, Herrero, L, Fita, I.
Deposit date:2014-10-30
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Lipoxygenase 2 in space group C2
To be Published
8QVW
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BU of 8qvw by Molmil
Cryo-EM structure of the peptide binding domain of human SRP68/72
Descriptor: Signal recognition particle subunit SRP68, Signal recognition particle subunit SRP72
Authors:Zhong, Y, Feng, J, Koh, A.F, Kotecha, A, Greber, B.J, Ataide, S.F.
Deposit date:2023-10-18
Release date:2024-02-07
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of SRP68/72 reveals an extended dimerization domain with RNA-binding activity.
Nucleic Acids Res., 52, 2024
6YFX
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BU of 6yfx by Molmil
TGT Y330F mutant crystallised at pH 5.5
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Nguyen, A, Heine, A, Klebe, G.
Deposit date:2020-03-26
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mutation study on tRNA-guanine transglycosylase for catalysis Testing
To Be Published
2EAO
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BU of 2eao by Molmil
Solution structure of the C-terminal SAM-domain of mouse ephrin type-B receptor 1 precursor (EC 2.7.1.112)
Descriptor: Ephrin type-B receptor 1
Authors:Goroncy, A.K, Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-31
Release date:2007-07-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal SAM-domain of mouse ephrin type-B receptor 1 precursor (EC 2.7.1.112)
To be Published
6YFZ
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BU of 6yfz by Molmil
Crystal structure of MKK7 (MAP2K7), apo form
Descriptor: Dual specificity mitogen-activated protein kinase kinase 7
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-03-27
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
8QLO
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BU of 8qlo by Molmil
CryoEM structure of the apo SPARTA (BabAgo/TIR-APAZ) complex
Descriptor: Short prokaryotic Argonaute, Toll/interleukin-1 receptor domain-containing protein
Authors:Finocchio, G, Koopal, B, Potocnik, A, Heijstek, C, Jinek, M, Swarts, D.
Deposit date:2023-09-20
Release date:2024-01-31
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Target DNA-dependent activation mechanism of the prokaryotic immune system SPARTA.
Nucleic Acids Res., 52, 2024
4YDP
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BU of 4ydp by Molmil
Crystal structure of N-terminal PDZ domain of ZASP in complex with myotilin C-terminal peptide.
Descriptor: GLUTAMIC ACID, LEUCINE, LIM domain-binding protein 3
Authors:Grishkovskaya, I, Onipe, A, Kontaxis, G, Djinovic-Carugo, K.
Deposit date:2015-02-22
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of N-terminal PDZ domain of ZASP in complex with myotilin C-terminal peptide.
To Be Published
6YH1
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BU of 6yh1 by Molmil
tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Nguyen, A, Heine, A, Klebe, G.
Deposit date:2020-03-28
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
4YEY
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BU of 4yey by Molmil
HUaa-20bp
Descriptor: DNA-binding protein HU-alpha, synthetic DNA strand
Authors:Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
Deposit date:2015-02-24
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.354 Å)
Cite:HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016

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