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6TQ3
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BU of 6tq3 by Molmil
Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA)
Descriptor: Enzyme subunit
Authors:Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A.
Deposit date:2019-12-16
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering.
Elife, 9, 2020
5YOQ
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BU of 5yoq by Molmil
Human serum albumin complexed with sodium 4-phenylbutyrate
Descriptor: 4-PHENYL-BUTANOIC ACID, PHOSPHATE ION, Serum albumin
Authors:Kawai, A, Otagiri, M.
Deposit date:2017-10-30
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure analysis of human serum albumin complexed with sodium 4-phenylbutyrate.
Biochem Biophys Rep, 13, 2018
5XZG
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BU of 5xzg by Molmil
Mouse cGAS bound to the inhibitor RU521
Descriptor: 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-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 (1.828 Å)
Cite:Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
5YRS
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BU of 5yrs by Molmil
X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Its SIHB with Catalytic Aspartate
Descriptor: PROTEASE, RT-RH oligopeprtide
Authors:Das, A, Mahale, S, Prashar, V, Bihani, S, Ferrer, J.-L, Hosur, M.V.
Deposit date:2017-11-10
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:X-ray snapshot of HIV-1 protease in action: observation of tetrahedral intermediate and short ionic hydrogen bond SIHB with catalytic aspartate.
J. Am. Chem. Soc., 132, 2010
5Y05
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BU of 5y05 by Molmil
Structural characterization of msmeg_4306 from Mycobacterium smegmatis
Descriptor: ZINC ION, msmeg_4306
Authors:Kumar, A, Karthikeyan, S.
Deposit date:2017-07-14
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Crystal structure of the MSMEG_4306 gene product from Mycobacterium smegmatis
Acta Crystallogr F Struct Biol Commun, 74, 2018
8JCR
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BU of 8jcr by Molmil
Crystal structure of Procerain from Calotropis gigantea (pH 6.0)
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ...
Authors:Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D.
Deposit date:2023-05-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Procerain from Calotropis gigantea
To Be Published
8JCQ
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BU of 8jcq by Molmil
Crystal structure of Procerain from Calotropis gigantea
Descriptor: BETA-MERCAPTOETHANOL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Procerain
Authors:Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D.
Deposit date:2023-05-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of Procerain from Calotropis gigantea
To Be Published
8JCS
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BU of 8jcs by Molmil
Crystal structure of Procerain-B from Calotropis gigantea
Descriptor: Procerain B
Authors:Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D.
Deposit date:2023-05-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of Procerain-B from Calotropis gigantea
To Be Published
4Y3T
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BU of 4y3t by Molmil
Endothiapepsin in complex with fragment 207
Descriptor: (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ...
Authors:Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
To Be Published
5Y85
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BU of 5y85 by Molmil
Structure-based Insights into Self-Cleavage by a Four-way Junctional Twister-Sister Ribozyme
Descriptor: DNA/RNA (50-MER), MAGNESIUM ION, RNA (5'-R(P*AP*CP*CP*CP*GP*CP*AP*AP*GP*GP*CP*CP*GP*AP*CP*GP*GP*C)-3')
Authors:Zheng, L, Micura, R.L, Ren, A.
Deposit date:2017-08-18
Release date:2017-11-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structure-based insights into self-cleavage by a four-way junctional twister-sister ribozyme
Nat Commun, 8, 2017
4Y5A
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BU of 4y5a by Molmil
Endothiapepsin in complex with fragment 206
Descriptor: 1,2-ETHANEDIOL, 1-[5-(trifluoromethyl)furan-2-yl]methanamine, ACETATE ION, ...
Authors:Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
To Be Published
4CWP
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BU of 4cwp by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4Y3R
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BU of 4y3r by Molmil
Endothiapepsin in complex with fragment 306
Descriptor: 2-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
1RY7
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BU of 1ry7 by Molmil
Crystal Structure of the 3 Ig form of FGFR3c in complex with FGF1
Descriptor: Fibroblast growth factor receptor 3, Heparin-binding growth factor 1
Authors:Olsen, S.K, Ibrahimi, O.A, Raucci, A, Zhang, F, Eliseenkova, A.V, Yayon, A, Basilico, C, Linhardt, R.J, Schlessinger, J, Mohammadi, M.
Deposit date:2003-12-19
Release date:2004-02-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Insights into the molecular basis for fibroblast growth factor receptor autoinhibition and ligand-binding promiscuity.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5YA8
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BU of 5ya8 by Molmil
Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with myo-inositol
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity
Authors:Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S.
Deposit date:2017-08-31
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification
PLoS ONE, 13, 2018
8JQU
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BU of 8jqu by Molmil
Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Pandey, D, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A.
Deposit date:2023-06-14
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani
To Be Published
8JMM
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BU of 8jmm by Molmil
Structure of XBB spike protein (S) dimer-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution.
Descriptor: 7F3 Fv, GW01 Fv, Spike glycoprotein
Authors:Hao, A, Mao, Q, Chen, Z, Huang, J, Sun, L.
Deposit date:2023-06-05
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structure of XBB spike protein (S) dimer-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution.
To Be Published
8JPV
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BU of 8jpv by Molmil
Glutamyl-tRNA synthetase from Methylacidiphilum fumariolicum
Descriptor: Glutamate--tRNA ligase
Authors:Dev, A, Basu, G.
Deposit date:2023-06-13
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Glutamyl-tRNA synthetase from Methylacidiphilum fumariolicum
To Be Published
2JA9
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BU of 2ja9 by Molmil
Structure of the N-terminal deletion of yeast exosome component Rrp40
Descriptor: EXOSOME COMPLEX EXONUCLEASE RRP40
Authors:Oddone, A, Lorentzen, E, Basquin, J, Gasch, A, Rybin, V, Conti, E, Sattler, M.
Deposit date:2006-11-24
Release date:2006-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Characterization of the Yeast Exosome Component Rrp40
Embo Rep., 8, 2007
8J91
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BU of 8j91 by Molmil
Cryo-EM structure of nucleosome containing Arabidopsis thaliana histones
Descriptor: DNA (169-MER), HTA13, Histone H2B.6, ...
Authors:Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T.
Deposit date:2023-05-02
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1
Nat Commun, 2024
6TQF
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BU of 6tqf by Molmil
The structure of ABC transporter Rv1819c in AMP-PNP bound state
Descriptor: ABC transporter ATP-binding protein/permease, DODECYL-BETA-D-MALTOSIDE, MAGNESIUM ION, ...
Authors:Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
Deposit date:2019-12-16
Release date:2020-04-01
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
8J90
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BU of 8j90 by Molmil
Cryo-EM structure of DDM1-nucleosome complex
Descriptor: ATP-dependent DNA helicase DDM1, DNA (169-MER), HTA6, ...
Authors:Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T.
Deposit date:2023-05-02
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (4.71 Å)
Cite:Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1
Nat Commun, 2024
8J92
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BU of 8j92 by Molmil
Cryo-EM structure of nucleosome containing Arabidopsis thaliana H2A.W
Descriptor: DNA (169-MER), HTA6, HTB9, ...
Authors:Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T.
Deposit date:2023-05-02
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1
Nat Commun, 2024
1S6Y
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BU of 1s6y by Molmil
2.3A crystal structure of phospho-beta-glucosidase
Descriptor: 6-phospho-beta-glucosidase
Authors:Tereshko, V, Dementieva, I, Kim, Y, Collat, F, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-01-28
Release date:2004-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:2.3A CRYSTAL STRUCTURE OF PHOSPHO-BETA-GLUCOSIDASE, licH Gene Product from BACILLUS STEAROTHERMOPHILUS
To be Published
4Y3S
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BU of 4y3s by Molmil
Endothiapepsin in complex with fragment 266
Descriptor: 6-(dimethylamino)pyridine-3-carboxylic acid, ACETATE ION, Endothiapepsin, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published

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數據於2024-07-17公開中

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