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2MSK
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BU of 2msk by Molmil
Solution Structure and Chemical Shift Assignments for BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C (NtrC) at 35C
Descriptor: Nitrogen regulation protein NR(I)
Authors:Clarkson, M.W, Pontiggia, F, Villali, J, Kern, D.
Deposit date:2014-08-04
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Free energy landscape of activation in a signalling protein at atomic resolution.
Nat Commun, 6, 2015
3JB4
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BU of 3jb4 by Molmil
Structure of Ljungan virus: insight into picornavirus packaging
Descriptor: VP0, VP1, VP3
Authors:Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I.
Deposit date:2015-07-21
Release date:2015-10-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of Ljungan virus provides insight into genome packaging of this picornavirus.
Nat Commun, 6, 2015
5MUZ
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BU of 5muz by Molmil
Structure of a C-terminal domain of a reptarenavirus L protein
Descriptor: L protein
Authors:Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S.
Deposit date:2017-01-14
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
5N12
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BU of 5n12 by Molmil
Crystal structure of TCE treated rPPEP-1
Descriptor: 2,2,2-tris-chloroethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ...
Authors:Pichlo, C, Schacherl, M, Baumann, U.
Deposit date:2017-02-04
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5NJG
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BU of 5njg by Molmil
Structure of an ABC transporter: part of the structure that could be built de novo
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ...
Authors:Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structure of the human multidrug transporter ABCG2.
Nature, 546, 2017
8AEU
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BU of 8aeu by Molmil
Structure of hMDM2 in complex with Nutlin-3a-aa
Descriptor: 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2
Authors:Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T.
Deposit date:2022-07-13
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group.
Chembiochem, 24, 2023
4OOA
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BU of 4ooa by Molmil
CRYSTAL STRUCTURE of NAF1 (MINER1): H114C THE REDOX-ACTIVE 2FE-2S PROTEIN
Descriptor: CDGSH iron-sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER
Authors:Tamir, S, Eisenberg-Domovich, Y, Conlan, A.R, Stofleth, J.T, Lipper, C.H, Paddock, M.L, Mittler, R, Jennings, P.A, Livnah, O, Nechushtai, R.
Deposit date:2014-01-31
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A point mutation in the [2Fe-2S] cluster binding region of the NAF-1 protein (H114C) dramatically hinders the cluster donor properties.
Acta Crystallogr.,Sect.D, 70, 2014
5K0U
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BU of 5k0u by Molmil
CryoEM structure of the full virion of a human rhinovirus C
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Liu, Y, Hill, M.G, Klose, T, Chen, Z, Watters, K.E, Jiang, W, Palmenberg, A.C, Rossmann, M.G.
Deposit date:2016-05-17
Release date:2016-07-13
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Atomic structure of a rhinovirus C, a virus species linked to severe childhood asthma.
Proc.Natl.Acad.Sci.USA, 113, 2016
2OLA
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BU of 2ola by Molmil
Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, cubic crystal form
Descriptor: O-succinylbenzoic acid synthetase
Authors:Patskovsky, Y, Sauder, J.M, Ozyurt, S, Wasserman, S.R, Smith, D, Dickey, M, Maletic, M, Reyes, C, Gheyi, T, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-01-18
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
1CCF
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BU of 1ccf by Molmil
How an Epidermal Growth Factor (EGF)-Like Domain Binds Calcium-High Resolution NMR Structure of the Calcium Form of the NH2-Terminal EGF-Like Domain in Coagulation Factor X
Descriptor: COAGULATION FACTOR X
Authors:Selander-Sunnerhagen, M, Ullner, M, Persson, M, Teleman, O, Stenflo, J, Drakenberg, T.
Deposit date:1993-05-19
Release date:1994-05-31
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:How an epidermal growth factor (EGF)-like domain binds calcium. High resolution NMR structure of the calcium form of the NH2-terminal EGF-like domain in coagulation factor X.
J.Biol.Chem., 267, 1992
4ESA
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BU of 4esa by Molmil
X-ray structure of carbonmonoxy hemoglobin of Eleginops maclovinus
Descriptor: CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ...
Authors:Merlino, A, Vitagliano, L, Mazzarella, L, Vergara, A.
Deposit date:2012-04-23
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus.
Mol Biosyst, 8, 2012
7OP3
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BU of 7op3 by Molmil
Cryo-EM structure of P5B-ATPase E2PiSPM
Descriptor: Cation-transporting ATPase, SPERMINE
Authors:Li, P, Gronberg, C, Wang, K.T, Salustros, N, Gourdon, P.E.
Deposit date:2021-05-28
Release date:2021-06-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
8A31
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BU of 8a31 by Molmil
p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694
Descriptor: 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2022-06-06
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
8A32
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BU of 8a32 by Molmil
p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769
Descriptor: 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ...
Authors:Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2022-06-06
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
1AKH
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BU of 1akh by Molmil
MAT A1/ALPHA2/DNA TERNARY COMPLEX
Descriptor: DNA (5'-D(*TP*AP*CP*AP*TP*GP*TP*AP*AP*AP*AP*AP*TP*TP*TP*AP*C P*AP*TP*CP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*AP*TP*GP*TP*AP*AP*AP*TP*TP*TP*TP*TP*A P*CP*AP*TP*G)-3'), PROTEIN (MATING-TYPE PROTEIN A-1), ...
Authors:Li, T, Jin, Y, Vershon, A.K, Wolberger, C.
Deposit date:1997-05-19
Release date:1998-05-20
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the MATa1/MATalpha2 homeodomain heterodimer in complex with DNA containing an A-tract.
Nucleic Acids Res., 26, 1998
5YQW
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BU of 5yqw by Molmil
Structure and function of a novel periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICKEL (II) ION, ...
Authors:Suginta, W, Sritho, N, Ranok, A, Kitaoku, Y, Bulmer, D.M, van den Berg, B, Fukamizo, T.
Deposit date:2017-11-08
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure and function of a novel periplasmic chitooligosaccharide-binding protein from marineVibriobacteria.
J. Biol. Chem., 293, 2018
5YSX
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BU of 5ysx by Molmil
Structure of P domain of GII.2 Noroviruses
Descriptor: VP1
Authors:Duan, Z, Ao, Y.
Deposit date:2017-11-16
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.202 Å)
Cite:Genetic Analysis of Reemerging GII.P16-GII.2 Noroviruses in 2016-2017 in China.
J. Infect. Dis., 218, 2018
5XZE
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BU of 5xze by Molmil
Mouse cGAS bound to the inhibitor RU332
Descriptor: (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ...
Authors:Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M.
Deposit date:2017-07-12
Release date:2017-10-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
8S1M
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BU of 8s1m by Molmil
Crystal structure of human GABARAP fused to EGFR (1076-1099)
Descriptor: CHLORIDE ION, Epidermal growth factor receptor,Gamma-aminobutyric acid receptor-associated protein, GLYCEROL
Authors:Ueffing, A, Willbold, D, Weiergraeber, O.H.
Deposit date:2024-02-15
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human GABARAP fused to EGFR (1076-1099)
To Be Published
5JR8
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BU of 5jr8 by Molmil
Disposal of Iron by a Mutant form of Siderocalin NGAL
Descriptor: GLYCEROL, Neutrophil gelatinase-associated lipocalin, PHOSPHATE ION
Authors:Rupert, P.B, Strong, R.K, Barasch, J, Hollman, M, Deng, R, Hod, E.A, Abergel, R, Allred, B, Xu, K, Darrah, S, Tekabe, Y, Perlstein, A, Bruck, E, Stauber, J, Corbin, K, Buchen, C, Slavkovich, V, Graziano, J, Spitalnik, S, Qiu, A.
Deposit date:2016-05-05
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Disposal of iron by a mutant form of lipocalin 2.
Nat Commun, 7, 2016
5NFT
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BU of 5nft by Molmil
Glucocorticoid Receptor in complex with AZD5423
Descriptor: 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide, Glucocorticoid receptor, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-03-15
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
1SM3
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BU of 1sm3 by Molmil
CRYSTAL STRUCTURE OF THE TUMOR SPECIFIC ANTIBODY SM3 COMPLEX WITH ITS PEPTIDE EPITOPE
Descriptor: CADMIUM ION, CHLORIDE ION, PEPTIDE EPITOPE, ...
Authors:Dokurno, P, Bates, P.A, Band, H.A, Stewart, L.M.D, Lally, J.M, Burchell, J.M, Taylor-Papadimitriou, J, Sternberg, M.J.E, Snary, D, Freemont, P.S.
Deposit date:1997-12-23
Release date:1999-03-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure at 1.95 A resolution of the breast tumour-specific antibody SM3 complexed with its peptide epitope reveals novel hypervariable loop recognition.
J.Mol.Biol., 284, 1998
5NQR
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BU of 5nqr by Molmil
Potent inhibitors of NUDT5 silence hormone signaling in breast cancer
Descriptor: 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase
Authors:Carter, M, Stenmark, P.
Deposit date:2017-04-21
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018
7ONO
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BU of 7ono by Molmil
Crystal structure of PBP3 transpeptidase domain from E. coli
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, trimethylamine oxide
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-25
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
7ONY
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BU of 7ony by Molmil
Crystal structure of PBP3 from P. aeruginosa
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-26
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021

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數據於2024-08-14公開中

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