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PDB: 42439 results

8FCF
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BU of 8fcf by Molmil
Crystal structure of PLVAP CC1 in I212121 space group
Descriptor: Plasmalemma vesicle-associated protein
Authors:Chang, T.H, Hsieh, F.L, Gu, X, Kavran, J, Gabelli, S.B, Nathans, J.
Deposit date:2022-12-01
Release date:2023-03-22
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into plasmalemma vesicle-associated protein (PLVAP): Implications for vascular endothelial diaphragms and fenestrae.
Proc.Natl.Acad.Sci.USA, 120, 2023
6YVD
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BU of 6yvd by Molmil
Head segment of the S.cerevisiae condensin holocomplex in presence of ATP
Descriptor: Condensin complex subunit 2, Condensin complex subunit 3, Structural maintenance of chromosomes protein 2, ...
Authors:Merkel, F, Haering, C.H, Hassler, M, Lee, B.G, Lowe, J.
Deposit date:2020-04-28
Release date:2020-07-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism.
Nat.Struct.Mol.Biol., 27, 2020
2X0N
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BU of 2x0n by Molmil
Structure of glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma brucei determined from Laue data
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, GLYCOSOMAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Vellieux, F.M.D, Hajdu, J, Hol, W.G.J.
Deposit date:2009-12-16
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma Brucei Determined from Laue Data.
Proc.Natl.Acad.Sci.USA, 90, 1993
6WTT
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BU of 6wtt by Molmil
Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Sacco, M, Ma, C, Chen, Y, Wang, J.
Deposit date:2020-05-03
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Cell Res., 30, 2020
6U25
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BU of 6u25 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST
Descriptor: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
Authors:Sack, J.
Deposit date:2019-08-19
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
6GL2
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BU of 6gl2 by Molmil
Structure of ZgEngAGH5_4 wild type at 1.2 Angstrom resolution
Descriptor: Endoglucanase, family GH5, IMIDAZOLE
Authors:Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S.
Deposit date:2018-05-22
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
6YU2
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BU of 6yu2 by Molmil
Crystal structure of MhsT in complex with L-isoleucine
Descriptor: ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ...
Authors:Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
Deposit date:2020-04-25
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
7CL0
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BU of 7cl0 by Molmil
Crystal structure of human SIRT6
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:Song, K, Zhang, J.
Deposit date:2020-07-20
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
3CEL
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BU of 3cel by Molmil
ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH CELLOBIOSE BOUND IN THE ACTIVE SITE
Descriptor: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
Authors:Divne, C, Stahlberg, J, Jones, T.A.
Deposit date:1996-08-24
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 264, 1996
7CL1
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BU of 7cl1 by Molmil
Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
Descriptor: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Song, K, Zhang, J.
Deposit date:2020-07-20
Release date:2021-02-24
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6YU3
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BU of 6yu3 by Molmil
Crystal structure of MhsT in complex with L-phenylalanine
Descriptor: DODECYL-BETA-D-MALTOSIDE, GLYCEROL, PHENYLALANINE, ...
Authors:Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
Deposit date:2020-04-25
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6GXS
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BU of 6gxs by Molmil
Crystal structure of CV39L lectin from Chromobacterium violaceum at 1.8 A resolution
Descriptor: 1,2-ETHANEDIOL, CV39L lectin, DI(HYDROXYETHYL)ETHER, ...
Authors:Sykorova, P, Novotna, J, Demo, G, Pompidor, G, Dubska, E, Komarek, J, Fujdiarova, E, Haronikova, L, Varrot, A, Imberty, A, Shilova, N, Bovin, N, Pokorna, M, Wimmerova, M.
Deposit date:2018-06-27
Release date:2019-12-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of novel lectins from Burkholderia pseudomallei and Chromobacterium violaceum with seven-bladed beta-propeller fold.
Int.J.Biol.Macromol., 152, 2020
6YZK
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BU of 6yzk by Molmil
Carborane closo-pentyl-sulfonamide in complex with CA IX mimic
Descriptor: Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6YZR
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BU of 6yzr by Molmil
Carborane nido-butyl-sulfonamide in complex with CA II
Descriptor: Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION
Authors:Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
Deposit date:2020-05-07
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
3D4A
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BU of 3d4a by Molmil
Crystal structure of ribonuclease Sa2 with 3'-GMP obtained by ligand diffusion
Descriptor: GUANOSINE-3'-MONOPHOSPHATE, Ribonuclease, SULFATE ION
Authors:Bauerova-Hlinkova, V, Sevcik, J.
Deposit date:2008-05-14
Release date:2009-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition
Febs J., 276, 2009
8FBC
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BU of 8fbc by Molmil
Crystal structure of P450T2
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pereira, J.H, Huang, J, Keasling, J, Adams, P.D.
Deposit date:2022-11-29
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Complete integration of carbene-transfer chemistry into biosynthesis.
Nature, 617, 2023
6QBS
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BU of 6qbs by Molmil
The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
Descriptor: (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ...
Authors:Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H.
Deposit date:2018-12-21
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
6YVU
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BU of 6yvu by Molmil
Condensin complex from S.cerevisiae ATP-free apo non-engaged state
Descriptor: Condensin complex subunit 1,Condensin complex subunit 1,Ycs4, Condensin complex subunit 2,Condensin complex subunit 2,Brn1, Structural maintenance of chromosomes protein 2,Structural maintenance of chromosomes protein 2,Smc2, ...
Authors:Lee, B.-G, Cawood, C, Gutierrez-Escribano, P, Nakane, T, Merkel, F, Hassler, M, Aragon, L, Haering, C.H, Lowe, J.
Deposit date:2020-04-28
Release date:2020-07-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism.
Nat.Struct.Mol.Biol., 27, 2020
6QF3
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BU of 6qf3 by Molmil
X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ...
Authors:Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
6GW7
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BU of 6gw7 by Molmil
The CTD of HpDprA, a DNA binding Winged Helix domain which do not bind dsDNA
Descriptor: DNA protecting protein DprA
Authors:Lisboa, J, Celma, L, Sanchez, D, Marquis, M, Andreani, J, Guerois, R, Ochsenbein, F, Durand, D, Marsin, S, Cuniasse, P, Radicella, J.P, Quevillon-Cheruel, S.
Deposit date:2018-06-22
Release date:2019-04-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The C-terminal domain of HpDprA is a DNA-binding winged helix domain that does not bind double-stranded DNA.
Febs J., 286, 2019
3D6M
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BU of 3d6m by Molmil
Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
Deposit date:2008-05-19
Release date:2010-03-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).
To be Published, 2008
5D39
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BU of 5d39 by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-08-06
Release date:2016-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
6QF4
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BU of 6qf4 by Molmil
X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
3D6F
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BU of 3d6f by Molmil
Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
Deposit date:2008-05-19
Release date:2010-03-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).
To be Published
5D7L
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BU of 5d7l by Molmil
Structure of human MR1-5-OP-RU in complex with human MAV36 TCR
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, MAV36 TCR Alpha Chain, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2015-08-14
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016

223532

数据于2024-08-07公开中

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