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8R55
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BU of 8r55 by Molmil
Bacillus subtilis MutS2-collided disome complex (collided 70S)
Descriptor: 16S rRNA (1533-MER), 23S RNA (2887-MER), 30S ribosomal protein S10, ...
Authors:Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R.
Deposit date:2023-11-16
Release date:2024-01-17
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage.
Embo J., 43, 2024
4BUI
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BU of 4bui by Molmil
Crystal structure of human tankyrase 2 in complex with methyl 4-(4- oxo-3,4-dihydroquinazolin-2-yl)benzoate
Descriptor: GLYCEROL, METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-20
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
3TDM
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BU of 3tdm by Molmil
Computationally designed TIM-barrel protein, HalfFLR
Descriptor: Computationally designed two-fold symmetric TIM-barrel protein, FLR (half molecule), PHOSPHATE ION
Authors:Harp, J.M, Fortenberry, C, Bowman, E, Profitt, W, Dorr, B, Mizoue, L.
Deposit date:2011-08-11
Release date:2011-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploring symmetry as an avenue to the computational design of large protein domains.
J.Am.Chem.Soc., 133, 2011
8UDV
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BU of 8udv by Molmil
The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17
Descriptor: 1,2-ETHANEDIOL, 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, Fibroblast growth factor receptor 3, ...
Authors:Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W.
Deposit date:2023-09-29
Release date:2024-02-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.348 Å)
Cite:Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
5MDT
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BU of 5mdt by Molmil
Structure of the CTD-interacting domain (CID) of Seb1 from S. pombe.
Descriptor: Rpb7-binding protein seb1
Authors:Wittmann, S, Renner, M, Vasiljeva, L, Grimes, J.
Deposit date:2016-11-13
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA.
Nat Commun, 8, 2017
4BUX
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BU of 4bux by Molmil
Crystal structure of human tankyrase 2 in complex with 3-((4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)methyl)imidazolidine-2,4-dione
Descriptor: 3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-24
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
3TEB
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BU of 3teb by Molmil
endonuclease/exonuclease/phosphatase family protein from Leptotrichia buccalis C-1013-b
Descriptor: Endonuclease/exonuclease/phosphatase, MAGNESIUM ION
Authors:Chang, C, Bigelow, L, Muniez, I, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-08-12
Release date:2011-08-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal structure of endonuclease/exonuclease/phosphatase family protein from Leptotrichia buccalis C-1013-b
To be Published
5YH5
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BU of 5yh5 by Molmil
The crystal structure of Staphylococcus aureus CntA in apo form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nickel ABC transporter substrate-binding protein
Authors:Song, L, Ji, Q.
Deposit date:2017-09-27
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8BV0
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BU of 8bv0 by Molmil
Binary complex between the NB-ARC domain from the Tomato immune receptor NRC1 and the SPRY domain-containing effector SS15 from the potato cyst nematode
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NRC1, Truncated secreted SPRY domain-containing protein 15 (Fragment)
Authors:Contreras, M.P, Pai, H, Muniyandi, S, Toghani, A, Lawson, D.M, Tumtas, Y, Duggan, C, Yuen, E.L.H, Stevenson, C.E.M, Harant, A, Wu, C.H, Bozkurt, T.O, Kamoun, S, Derevnina, L.
Deposit date:2022-12-01
Release date:2022-12-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Resurrection of plant disease resistance proteins via helper NLR bioengineering.
Sci Adv, 9, 2023
4BP3
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BU of 4bp3 by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with DECARBOXYLATED S-ADENOSYLMETHIONINE5' AND 4- METHYLANILINE
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-METHYLANILINE, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
Deposit date:2013-05-23
Release date:2014-06-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
4C08
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BU of 4c08 by Molmil
Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with CaCl2 at 1.34 Angstroms
Descriptor: CALCIUM ION, PENTAETHYLENE GLYCOL, PROTEIN ARGININE N-METHYLTRANSFERASE 6
Authors:Bonnefond, L, Cura, V, Troffer-Charlier, N, Mailliot, J, Wurtz, J.M, Cavarelli, J.
Deposit date:2013-07-31
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.338 Å)
Cite:Functional Insights from High Resolution Structures of Mouse Protein Arginine Methyltransferase 6.
J.Struct.Biol., 191, 2015
3TGJ
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BU of 3tgj by Molmil
S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
Authors:Pasternak, A, Ringe, D, Hedstrom, L.
Deposit date:1998-07-16
Release date:1998-12-23
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparison of Anionic and Cationic Trypsinogens: The Anionic Activation Domain is More Flexible in Solution and Differs in its Mode of Bpti Binding in the Crystal Structure
Protein Sci., 8, 1999
8V1F
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BU of 8v1f by Molmil
TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC)
Deposit date:2023-11-20
Release date:2024-02-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
To Be Published
4BU8
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BU of 4bu8 by Molmil
Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-1,4- dihydroquinazolin-2-yl)benzonitrile
Descriptor: 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-20
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
3T6F
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BU of 3t6f by Molmil
Biotin complex of Y54F core streptavidin
Descriptor: BIOTIN, BIOTIN-D-SULFOXIDE, GLYCEROL, ...
Authors:Baugh, L, Le Trong, I, Cerutti, D.S, Mehta, N, Gulich, S, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
3T6L
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BU of 3t6l by Molmil
Y54F mutant of core streptavidin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Streptavidin
Authors:Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
8UUK
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BU of 8uuk by Molmil
Pendrin in apo
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, Lauryl Maltose Neopentyl Glycol, ...
Authors:Wang, L, Hoang, A, Zhou, M.
Deposit date:2023-11-01
Release date:2024-02-07
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
5MJ5
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BU of 5mj5 by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetichonokiol derivative 3 and a fragment of the TIF2 co-activator.
Descriptor: (~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha
Authors:Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
Deposit date:2016-11-30
Release date:2017-11-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
1E7Z
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BU of 1e7z by Molmil
Crystal structure of the EMAP2/RNA binding domain of the p43 protein from human aminoacyl-tRNA synthetase complex
Descriptor: ENDOTHELIAL-MONOCYTE ACTIVATING POLYPEPTIDE II, MERCURY (II) ION
Authors:Pasqualato, S, Kerjan, P, Renault, L, Menetrey, J, Mirande, M, Cherfils, J.
Deposit date:2000-09-13
Release date:2000-11-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Emapii Domain of Human Aminoacyl-tRNA Synthetase Complex Reveals Evolutionary Dimeric Mimicry
Embo J., 20, 2001
5MQ1
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BU of 5mq1 by Molmil
Crystal structure of the BRD7 bromodomain in complex with BI-9564
Descriptor: 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7, ...
Authors:Diaz-Saez, L, Martin, L.J, Panagakou, I, Picaud, S, Krojer, T, von Delft, F, Knapp, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2016-12-19
Release date:2018-01-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the BRD7 bromodomain in complex with BI-9564
To Be Published
5MQI
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BU of 5mqi by Molmil
Crystal structure of the N-terminal domain of human Timeless
Descriptor: Protein timeless homolog,Protein timeless homolog, SULFATE ION
Authors:Holzer, S, Kilkenny, M.L, Pellegrini, L.
Deposit date:2016-12-20
Release date:2017-03-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Crystal structure of the N-terminal domain of human Timeless and its interaction with Tipin.
Nucleic Acids Res., 45, 2017
5YN6
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BU of 5yn6 by Molmil
Crystal structure of MERS-CoV nsp10/nsp16 complex bound to SAM
Descriptor: S-ADENOSYLMETHIONINE, ZINC ION, nsp10 protein, ...
Authors:Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
4C8D
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BU of 4c8d by Molmil
Crystal structure of JmjC domain of human histone 3 Lysine-specific demethylase 3B (KDM3B)
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Vollmar, M, Johansson, C, Gileadi, C, Goubin, S, Szykowska, A, Krojer, T, Crawley, L, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2013-09-30
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone 3 Lysine-Specific Demethylase 3B (Kdm3B)
To be Published
5YNN
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BU of 5ynn by Molmil
Crystal structure of MERS-CoV nsp16/nsp10complex bound to sinefungin and m7GpppG
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, SINEFUNGIN, ZINC ION, ...
Authors:Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
6F27
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BU of 6f27 by Molmil
NMR solution structure of non-bound [des-Arg10]-kallidin (DAKD)
Descriptor: DAKD
Authors:Richter, C, Jonker, H.R.A, Schwalbe, H, Joedicke, L, Mao, J, Kuenze, G, Reinhart, C, Kalavacherla, T, Meiler, J, Preu, J, Michel, H, Glaubitz, C.
Deposit date:2017-11-23
Release date:2018-01-10
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018

226707

數據於2024-10-30公開中

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