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6UT2
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BU of 6ut2 by Molmil
3D structure of the leiomodin/tropomyosin binding interface
Descriptor: Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide
Authors:Tolkatchev, D, Smith, G.E, Helms, G.L, Cort, J.R, Kostyukova, A.S.
Deposit date:2019-10-29
Release date:2020-09-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Leiomodin creates a leaky cap at the pointed end of actin-thin filaments.
Plos Biol., 18, 2020
8QYN
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BU of 8qyn by Molmil
Human 20S proteasome assembly intermediate structure 5
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 2024
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
Descriptor: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
3O4U
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BU of 3o4u by Molmil
Crystal Structure of HePTP with an Atypically Open WPD Loop
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, S,R MESO-TARTARIC ACID, ...
Authors:Critton, D.A, Page, R.
Deposit date:2010-07-27
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Visualizing active-site dynamics in single crystals of HePTP: opening of the WPD loop involves coordinated movement of the E loop.
J.Mol.Biol., 405, 2011
8QZ9
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BU of 8qz9 by Molmil
Human 20S proteasome assembly intermediate structure 4
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 2024
7QOA
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BU of 7qoa by Molmil
Structure of CodB, a cytosine transporter in an outward-facing conformation
Descriptor: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ...
Authors:Hatton, C.E, Cameron, A.D.
Deposit date:2021-12-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
7SVU
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BU of 7svu by Molmil
TnsBctd-TnsC-TniQ complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (28-MER), DNA (29-MER), ...
Authors:Park, J, Tsai, A.W.T, Kellogg, E.H.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of the holo CRISPR RNA-guided transposon integration complex
Nature, 613, 2023
8QYL
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BU of 8qyl by Molmil
Human 20S proteasome assembly intermediate structure 2
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 2024
5SVJ
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BU of 5svj by Molmil
Crystal structure of the ATP-gated human P2X3 ion channel in the closed, apo state
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2016-08-06
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
1GJB
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BU of 1gjb by Molmil
ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
Descriptor: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
Deposit date:2001-04-27
Release date:2002-04-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
6AW0
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BU of 6aw0 by Molmil
Crystal structure of CEACAM3 L44Q
Descriptor: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 3, GLYCEROL, ...
Authors:Bonsor, D.A, Sundberg, E.J.
Deposit date:2017-09-05
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
6SD4
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BU of 6sd4 by Molmil
Structure of the RBM3/collar region of the Salmonella flagella MS-ring protein FliF with 34-fold symmetry applied
Descriptor: Flagellar M-ring protein
Authors:Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M.
Deposit date:2019-07-26
Release date:2020-03-18
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation.
Nat Microbiol, 5, 2020
6F8V
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BU of 6f8v by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-18b
Descriptor: 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one, MAGNESIUM ION, ZINC ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
1GHV
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BU of 1ghv by Molmil
A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor: 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
Authors:Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
8R2C
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BU of 8r2c by Molmil
Crystal structure of the Vint domain from Tetrahymena thermophila
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, von willebrand factor type A (VWA) domain was originally protein
Authors:Iwai, H, Beyer, H.M, Johannson, J.E, Li, M, Wlodawer, A.
Deposit date:2023-11-03
Release date:2024-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of the Vint domain from Tetrahymena thermophila suggests a ligand-regulated cleavage mechanism by the HINT fold.
Febs Lett., 598, 2024
1GI9
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BU of 1gi9 by Molmil
A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor: 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
7QEA
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BU of 7qea by Molmil
Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A)
Descriptor: (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ...
Authors:Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
Deposit date:2021-12-01
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
3NXP
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BU of 3nxp by Molmil
Crystal structure of human prethrombin-1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Chen, Z, Bush-Pelc, L.A, Di Cera, E.
Deposit date:2010-07-14
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of prethrombin-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
7QG4
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BU of 7qg4 by Molmil
Apo crystal structure of a mutant of SN243 (D415N)
Descriptor: SN243, SULFATE ION, ZINC ION
Authors:Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
Deposit date:2021-12-07
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
3JC6
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BU of 3jc6 by Molmil
Structure of the eukaryotic replicative CMG helicase and pumpjack motion
Descriptor: Cell division control protein 45, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ...
Authors:Li, H, Bai, L, Yuan, Z, Sun, J, Georgescu, R.E, Liu, J, O'Donnell, M.E.
Deposit date:2015-11-24
Release date:2016-02-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the eukaryotic replicative CMG helicase suggests a pumpjack motion for translocation.
Nat.Struct.Mol.Biol., 23, 2016
8R10
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BU of 8r10 by Molmil
Pim1 in complex with 4-(4-hydroxystyryl)benzoic acid and Pimtide
Descriptor: (Z)-4-(4-hydroxystyryl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-01
Release date:2024-03-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
7QHP
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BU of 7qhp by Molmil
Structure of I-Ag7 with a bound hybrid insulin peptide
Descriptor: GLYCEROL, H-2 class II histocompatibility antigen, A-D alpha chain, ...
Authors:Lopez-Sagaseta, J, Erausquin, E.
Deposit date:2021-12-13
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural plasticity in I-A g7 links autoreactivity to hybrid insulin peptides in type I diabetes.
Front Immunol, 13, 2022
8R1N
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BU of 8r1n by Molmil
Pim1 in complex with 4-(4-hydroxyphenethyl)benzoic acid and Pimtide
Descriptor: 4-(4-hydroxyphenethyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
7QEF
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BU of 7qef by Molmil
Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A)
Descriptor: 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ...
Authors:Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
Deposit date:2021-12-02
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022

223790

數據於2024-08-14公開中

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