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PDB: 89111 results

7ZV7
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BU of 7zv7 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor 57
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
6WWE
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BU of 6wwe by Molmil
Apo KIF14[391-772] in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
4XEJ
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BU of 4xej by Molmil
IRES bound to bacterial Ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhu, J, Korostelev, A, Noller, H.F, Donohue, J.P.
Deposit date:2014-12-23
Release date:2015-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Initiation of translation in bacteria by a structured eukaryotic IRES RNA.
Nature, 519, 2015
8PMQ
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BU of 8pmq by Molmil
Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin
Descriptor: E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ...
Authors:Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A.
Deposit date:2023-06-29
Release date:2024-01-03
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
6HGG
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BU of 6hgg by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with cortisol
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6WWN
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BU of 6wwn by Molmil
KIF14[391-748] - ADP-AlFx in complex with a microtubule
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
8PYH
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BU of 8pyh by Molmil
Crystal structure of the Orange Carotenoid Protein 2 (OCP2) from Crinalium epipsammum PCC 9333
Descriptor: ACETATE ION, Orange carotenoid-binding protein, beta,beta-caroten-4-one
Authors:Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Maksimov, E.G, Popov, V.O, Sluchanko, N.N.
Deposit date:2023-07-25
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural framework for the understanding spectroscopic and functional signatures of the cyanobacterial Orange Carotenoid Protein families.
Int.J.Biol.Macromol., 254, 2024
6HGM
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BU of 6hgm by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III-allo: an allosterically controlled new binding globulin with an unprecedentedly high ligand release efficacy
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CALCIUM ION, ...
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6WWI
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BU of 6wwi by Molmil
Apo KIF14[391-755] in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
6DE9
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BU of 6de9 by Molmil
mitoNEET bound to furosemide
Descriptor: 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER
Authors:Robart, A.R, Geldenhuys, W.J.
Deposit date:2018-05-11
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the mitochondrial protein mitoNEET bound to a benze-sulfonide ligand.
Commun Chem, 2, 2019
5J6S
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BU of 5j6s by Molmil
Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand
Descriptor: (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Saridakis, E, Giastas, P, Mpakali, A, Deprez-Poulain, R, Stratikos, E.
Deposit date:2016-04-05
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
6WWO
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BU of 6wwo by Molmil
KIF14[391-748] - AMP-PNP in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
7Q94
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BU of 7q94 by Molmil
Crystal Structure of Agrobacterium tumefaciens NADQ, DNA complex.
Descriptor: DNA binding region (31-MER), NADQ transcription factor
Authors:Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
6QWZ
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BU of 6qwz by Molmil
HEWL lysozyme, crystallized from KCl solution
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V.
Deposit date:2019-03-06
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:HEWL lysozyme, crystallized from different chlorides
To Be Published
7LBD
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BU of 7lbd by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59K mutant with pyruvate bound in the active site in C2221 space group
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Yazdi, M.M, Sanders, D.A.R.
Deposit date:2021-01-07
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Reversing the roles of a crucial hydrogen-bonding pair: a lysine-insensitive mutant of Campylobacter jejuni dihydrodipicolinate synthase, H59K, binds histidine in its allosteric site
To Be Published
8PQN
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BU of 8pqn by Molmil
NQO1 bound to RBS-10
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide
Authors:Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A.
Deposit date:2023-07-11
Release date:2024-01-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders.
Angew.Chem.Int.Ed.Engl., 63, 2024
7QC3
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BU of 7qc3 by Molmil
HisF from T. maritima
Descriptor: Imidazole glycerol phosphate synthase subunit HisF
Authors:Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C.
Deposit date:2021-11-22
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022
6U4L
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BU of 6u4l by Molmil
cysteine dioxygenase variant - C93E
Descriptor: ACETATE ION, Cysteine dioxygenase type 1, FE (III) ION
Authors:Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
6QXF
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BU of 6qxf by Molmil
Cas1-Cas2-Csn2-DNA complex from the Type II-A CRISPR-Cas system
Descriptor: CALCIUM ION, CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, ...
Authors:Wilkinson, M, Drabavicius, G, Silanskas, A, Gasiunas, G, Siksnys, V, Wigley, D.B.
Deposit date:2019-03-07
Release date:2019-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the DNA-Bound Spacer Capture Complex of a Type II CRISPR-Cas System.
Mol.Cell, 75, 2019
6WWP
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BU of 6wwp by Molmil
Apo KIF14[391-743] in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
5WJV
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BU of 5wjv by Molmil
Cryo-EM structure of B. subtilis flagellar filaments A233V
Descriptor: Flagellin
Authors:Wang, F, Burrage, A.M, Kearns, D.B, Egelman, E.H.
Deposit date:2017-07-24
Release date:2017-10-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
6WWQ
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BU of 6wwq by Molmil
KIF14[391-743] - ADP in complex with a microtubule
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
6WWT
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BU of 6wwt by Molmil
Apo KIF14[391-735] in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022

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數據於2024-09-11公開中

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