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6XHL
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BU of 6xhl by Molmil
Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Descriptor: 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6OD0
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BU of 6od0 by Molmil
Structure of human CIB1 in complex with peptide inhibitor UNC10245092
Descriptor: CALCIUM ION, Calcium and integrin-binding protein 1, Peptide inhibitor UNC10245092
Authors:Puhl, A.C, Godoy, A.S, Pearce, K.
Deposit date:2019-03-25
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and Characterization of Peptide Inhibitors for Calcium and Integrin Binding Protein 1.
Acs Chem.Biol., 15, 2020
3OH9
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BU of 3oh9 by Molmil
AlkA Undamaged DNA Complex: Interrogation of a T:A base pair
Descriptor: 5'-D(*AP*CP*AP*(BRU)P*GP*AP*AP*(BRU)P*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*TP*TP*CP*AP*TP*GP*T)-3', DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2010-08-17
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
6XHN
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BU of 6xhn by Molmil
Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
Descriptor: (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
3OGD
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BU of 3ogd by Molmil
AlkA Undamaged DNA Complex: Interrogation of a G*:C base pair
Descriptor: 5'-D(*CP*AP*(BRU)P*GP*AP*CP*(BRU)P*GP*C)-3', 5'-D(*GP*CP*AP*GP*TP*CP*AP*TP*G)-3', DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2010-08-16
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
3DIY
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BU of 3diy by Molmil
Crystallization of the Thermotoga maritima lysine riboswitch bound to lysine, Mn2+ soak
Descriptor: LYSINE, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Serganov, A.A.
Deposit date:2008-06-21
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-05-28
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
3OMX
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BU of 3omx by Molmil
Crystal structure of Ssu72 with vanadate complex
Descriptor: CG14216, VANADATE ION
Authors:Zhang, Y, Zhang, M, Zhang, Y.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3366 Å)
Cite:Crystal structure of Ssu72, an essential eukaryotic phosphatase specific for the C-terminal domain of RNA polymerase II, in complex with a transition state analogue.
Biochem.J., 434, 2011
4GEM
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BU of 4gem by Molmil
Crystal structure of Zucchini (K171A)
Descriptor: 1,2-ETHANEDIOL, Mitochondrial cardiolipin hydrolase, ZINC ION
Authors:Nishimasu, H, Fukuhara, S, Ishitani, R, Nureki, O.
Deposit date:2012-08-02
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structure and function of Zucchini endoribonuclease in piRNA biogenesis
Nature, 491, 2012
8KB5
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BU of 8kb5 by Molmil
Cryo-EM structure of the human nucleosome containing H3.8
Descriptor: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Hirai, H, Kujirai, T, Takizawa, Y, Kurumizaka, H.
Deposit date:2023-08-03
Release date:2023-10-18
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.26133 Å)
Cite:Cryo-EM and biochemical analyses of the nucleosome containing the human histone H3 variant H3.8.
J.Biochem., 174, 2023
3OMW
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BU of 3omw by Molmil
Crystal structure of Ssu72, an essential eukaryotic phosphatase specific for the C-terminal domain of RNA polymerase II
Descriptor: CG14216
Authors:Zhang, Y, Zhang, M, Zhang, Y.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8701 Å)
Cite:Crystal structure of Ssu72, an essential eukaryotic phosphatase specific for the C-terminal domain of RNA polymerase II, in complex with a transition state analogue.
Biochem.J., 434, 2011
5EUP
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BU of 5eup by Molmil
Structure of the Drosophila melanogaster CP190 BTB domain
Descriptor: Centrosome-associated zinc finger protein CP190
Authors:Plevock, K.M, Galletta, B.J, Slep, K.C, Rusan, N.M.
Deposit date:2015-11-19
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Newly Characterized Region of CP190 Associates with Microtubules and Mediates Proper Spindle Morphology in Drosophila Stem Cells.
Plos One, 10, 2015
6P07
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BU of 6p07 by Molmil
Spastin hexamer in complex with substrate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sandate, C.R, Szyk, A, Zehr, E, Roll-Mecak, A, Lander, G.C.
Deposit date:2019-05-16
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An allosteric network in spastin couples multiple activities required for microtubule severing.
Nat.Struct.Mol.Biol., 26, 2019
6XHM
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BU of 6xhm by Molmil
Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6PGR
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BU of 6pgr by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Descriptor: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-06-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
4QQB
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BU of 4qqb by Molmil
Structural basis for the assembly of the SXL-UNR translation regulatory complex
Descriptor: Protein sex-lethal, Upstream of N-ras, isoform A, ...
Authors:Hennig, J, Popowicz, G.M, Sattler, M.
Deposit date:2014-06-27
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the assembly of the Sxl-Unr translation regulatory complex.
Nature, 515, 2014
6XHO
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BU of 6xho by Molmil
Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.446 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
3P7J
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BU of 3p7j by Molmil
Drosophila HP1a chromo shadow domain
Descriptor: GLYCEROL, Heterochromatin protein 1
Authors:Kim, D, Chruszcz, M, Minor, W, Khorasanizadeh, S.
Deposit date:2010-10-12
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The HP1a Disordered C Terminus and Chromo Shadow Domain Cooperate to Select Target Peptide Partners.
Chembiochem, 12, 2011
5GGE
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BU of 5gge by Molmil
Fatty Acid-Binding Protein in Brain Tissue of Drosophila melanogaster
Descriptor: CITRIC ACID, Fatty acid bindin protein, isoform B
Authors:Cheng, Y.-Y, Huang, Y.-F, Lin, H.-H, Chang, W.W, Lyu, P.-C.
Deposit date:2016-06-15
Release date:2017-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:The ligand-mediated affinity of brain-type fatty acid-binding protein for membranes determines the directionality of lipophilic cargo transport.
Biochim Biophys Acta Mol Cell Biol Lipids, 1864, 2019
6Y79
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BU of 6y79 by Molmil
Cryo-EM structure of a respiratory complex I F89A mutant
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Parey, K.
Deposit date:2020-02-28
Release date:2020-10-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Essential role of accessory subunit LYRM6 in the mechanism of mitochondrial complex I.
Nat Commun, 11, 2020
6YD0
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BU of 6yd0 by Molmil
XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, diferric state
Descriptor: FE (III) ION, GLYCEROL, Methane monooxygenase, ...
Authors:Srinivas, V, Hogbom, M.
Deposit date:2020-03-19
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
6YFB
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BU of 6yfb by Molmil
Virus-like particle of bacteriophage AVE016
Descriptor: coat protein
Authors:Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K.
Deposit date:2020-03-26
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
6OCX
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BU of 6ocx by Molmil
Structure of human CIB1 in complex with peptide inhibitor UNC10245109
Descriptor: CALCIUM ION, Calcium and integrin-binding protein 1, Peptide inhibitor UNC10245109
Authors:Puhl, A.C, Godoy, A.S, Pearce, K.
Deposit date:2019-03-25
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Characterization of Peptide Inhibitors for Calcium and Integrin Binding Protein 1.
Acs Chem.Biol., 15, 2020
3DIQ
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BU of 3diq by Molmil
Crystallization of the Thermotoga maritima lysine riboswitch bound to homoarginine
Descriptor: L-HOMOARGININE, PENTAETHYLENE GLYCOL, POTASSIUM ION, ...
Authors:serganov, A.A.
Deposit date:2008-06-20
Release date:2008-09-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008
3DIO
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BU of 3dio by Molmil
Crystallization of the Thermotoga maritima lysine riboswitch bound to lysine, IRIDIUM HEXAMINE SOAK
Descriptor: IRIDIUM HEXAMMINE ION, LYSINE, PENTAETHYLENE GLYCOL, ...
Authors:Serganov, A.A.
Deposit date:2008-06-20
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008

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數據於2024-10-16公開中

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