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PDB: 42439 件

8FCF
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Crystal structure of PLVAP CC1 in I212121 space group
分子名称: Plasmalemma vesicle-associated protein
著者Chang, T.H, Hsieh, F.L, Gu, X, Kavran, J, Gabelli, S.B, Nathans, J.
登録日2022-12-01
公開日2023-03-22
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: Condensin complex subunit 2, Condensin complex subunit 3, Structural maintenance of chromosomes protein 2, ...
著者Merkel, F, Haering, C.H, Hassler, M, Lee, B.G, Lowe, J.
登録日2020-04-28
公開日2020-07-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献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
分子名称: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, GLYCOSOMAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Vellieux, F.M.D, Hajdu, J, Hol, W.G.J.
登録日2009-12-16
公開日2009-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: (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, ...
著者Sacco, M, Ma, C, Chen, Y, Wang, J.
登録日2020-05-03
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: 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
著者Sack, J.
登録日2019-08-19
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献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
分子名称: Endoglucanase, family GH5, IMIDAZOLE
著者Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S.
登録日2018-05-22
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献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
分子名称: ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献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
分子名称: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
著者Divne, C, Stahlberg, J, Jones, T.A.
登録日1996-08-24
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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)
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: DODECYL-BETA-D-MALTOSIDE, GLYCEROL, PHENYLALANINE, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, CV39L lectin, DI(HYDROXYETHYL)ETHER, ...
著者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.
登録日2018-06-27
公開日2019-12-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-05-07
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献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
分子名称: Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-05-07
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: GUANOSINE-3'-MONOPHOSPHATE, Ribonuclease, SULFATE ION
著者Bauerova-Hlinkova, V, Sevcik, J.
登録日2008-05-14
公開日2009-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Pereira, J.H, Huang, J, Keasling, J, Adams, P.D.
登録日2022-11-29
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献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
分子名称: (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, ...
著者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.
登録日2018-12-21
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 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, ...
著者Lee, B.-G, Cawood, C, Gutierrez-Escribano, P, Nakane, T, Merkel, F, Hassler, M, Aragon, L, Haering, C.H, Lowe, J.
登録日2020-04-28
公開日2020-07-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism.
Nat.Struct.Mol.Biol., 27, 2020
6QF3
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X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ...
著者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.
登録日2019-01-09
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献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
分子名称: DNA protecting protein DprA
著者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.
登録日2018-06-22
公開日2019-04-24
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献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)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
登録日2008-05-19
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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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Transcription factor-DNA complex
分子名称: 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
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-08-06
公開日2016-08-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
6QF4
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X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者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.
登録日2019-01-09
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献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)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
登録日2008-05-19
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 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, ...
著者Keller, A.N, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016

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