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5EW9
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BU of 5ew9 by Molmil
Crystal Structure of Aurora A Kinase Domain Bound to MK-5108
Descriptor: 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid, Aurora kinase A
Authors:Shiau, A.K, Motamedi, A.
Deposit date:2015-11-20
Release date:2016-01-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.181 Å)
Cite:A Cell Biologist's Field Guide to Aurora Kinase Inhibitors.
Front Oncol, 5, 2015
6MJW
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BU of 6mjw by Molmil
human cGAS catalytic domain bound with the inhibitor G150
Descriptor: 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T.
Deposit date:2018-09-23
Release date:2019-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
6MJU
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BU of 6mju by Molmil
human cGAS catalytic domain bound with the inhibitor G108
Descriptor: 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T.
Deposit date:2018-09-22
Release date:2019-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
6MJX
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BU of 6mjx by Molmil
human cGAS catalytic domain bound with cGAMP
Descriptor: Cyclic GMP-AMP synthase, ZINC ION, cGAMP
Authors:Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T.
Deposit date:2018-09-23
Release date:2019-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
5YXZ
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BU of 5yxz by Molmil
Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484
Descriptor: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ...
Authors:Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R.
Deposit date:2017-12-07
Release date:2018-04-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484
To Be Published
5YY1
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BU of 5yy1 by Molmil
Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
Descriptor: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ...
Authors:Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R.
Deposit date:2017-12-07
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
To Be Published
1JH1
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BU of 1jh1 by Molmil
Crystal Structure of MMP-8 complexed with a 6H-1,3,4-thiadiazine derived inhibitor
Descriptor: BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE, CALCIUM ION, Matrix Metalloproteinase 8, ...
Authors:Schroder, J, Henke, A, Wenzel, H, Brandstetter, H, Stammler, H.G, Stammler, A, Pfeiffer, W.D, Tschesche, H.
Deposit date:2001-06-27
Release date:2001-12-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold.
J.Med.Chem., 44, 2001
5I4N
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BU of 5i4n by Molmil
Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Shiau, A.K, Motamedi, A.
Deposit date:2016-02-12
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Uncoupling JAK2 V617F activation from cytokine-induced signalling by modulation of JH2 alpha C helix.
Biochem.J., 473, 2016
2Y92
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BU of 2y92 by Molmil
Crystal structure of MAL adaptor protein
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER PROTEIN,
Authors:Valkov, E, Stamp, A, Martin, J.L, Kobe, B.
Deposit date:2011-02-11
Release date:2011-09-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structure of Toll-Like Receptor Adaptor Mal/Tirap Reveals the Molecular Basis for Signal Transduction and Disease Protection.
Proc.Natl.Acad.Sci.USA, 108, 2011
8Q5I
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BU of 8q5i by Molmil
Structure of Candida albicans 80S ribosome in complex with cephaeline
Descriptor: 18S ribosomal RNA, 25S rRNA, 40S ribosomal protein S0, ...
Authors:Kolosova, O, Zgadzay, Y, Stetsenko, A, Atamas, A, Guskov, A, Yusupov, M.
Deposit date:2023-08-09
Release date:2023-09-13
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural characterization of cephaeline binding to the eukaryotic ribosome using Cryo-Electron Microscopy
Biopolym Cell, 2023
4EFL
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BU of 4efl by Molmil
Crystal structure of H-Ras WT in complex with GppNHp (state 1)
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Muraoka, S, Shima, F, Araki, M, Inoue, T, Yoshimoto, A, Ijiri, Y, Seki, N, Tamura, A, Kumasaka, T, Yamamoto, M, Kataoka, T.
Deposit date:2012-03-30
Release date:2012-05-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the state 1 conformations of the GTP-bound H-Ras protein and its oncogenic G12V and Q61L mutants
Febs Lett., 586, 2012
3VSR
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BU of 3vsr by Molmil
Microbacterium saccharophilum K-1 beta-fructofuranosidase catalytic domain
Descriptor: Beta-fructofuranosidase
Authors:Tonozuka, T, Tamaki, A, Yokoi, G, Miyazaki, T, Ichikawa, M, Nishikawa, A, Ohta, Y, Hidaka, Y, Katayama, K, Hatada, Y, Ito, T, Fujita, K.
Deposit date:2012-05-08
Release date:2012-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a lactosucrose-producing enzyme, Arthrobacter sp. K-1 beta-fructofuranosidase
Enzyme.Microb.Technol., 51, 2012
4EFN
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BU of 4efn by Molmil
Crystal structure of H-Ras Q61L in complex with GppNHp (state 1)
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Muraoka, S, Shima, F, Araki, M, Inoue, T, Yoshimoto, A, Ijiri, Y, Seki, N, Tamura, A, Kumasaka, T, Yamamoto, M, Kataoka, T.
Deposit date:2012-03-30
Release date:2012-05-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the state 1 conformations of the GTP-bound H-Ras protein and its oncogenic G12V and Q61L mutants
Febs Lett., 586, 2012
4P79
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BU of 4p79 by Molmil
Crystal structure of mouse claudin-15
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Claudin-15
Authors:Suzuki, H, Nishizawa, T, Tani, K, Yamazaki, Y, Tamura, A, Ishitani, R, Dohmae, N, Tsukita, S, Nureki, O, Fujiyoshi, Y.
Deposit date:2014-03-26
Release date:2014-04-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a claudin provides insight into the architecture of tight junctions.
Science, 344, 2014
3VSS
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BU of 3vss by Molmil
Microbacterium saccharophilum K-1 beta-fructofuranosidase catalytic domain complexed with fructose
Descriptor: Beta-fructofuranosidase, beta-D-fructofuranose
Authors:Tonozuka, T, Tamaki, A, Yokoi, G, Miyazaki, T, Ichikawa, M, Nishikawa, A, Ohta, Y, Hidaka, Y, Katayama, K, Hatada, Y, Ito, T, Fujita, K.
Deposit date:2012-05-08
Release date:2012-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of a lactosucrose-producing enzyme, Arthrobacter sp. K-1 beta-fructofuranosidase
Enzyme.Microb.Technol., 51, 2012
4EFM
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BU of 4efm by Molmil
Crystal structure of H-Ras G12V in complex with GppNHp (state 1)
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Muraoka, S, Shima, F, Araki, M, Inoue, T, Yoshimoto, A, Ijiri, Y, Seki, N, Tamura, A, Kumasaka, T, Yamamoto, M, Kataoka, T.
Deposit date:2012-03-30
Release date:2012-05-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the state 1 conformations of the GTP-bound H-Ras protein and its oncogenic G12V and Q61L mutants
Febs Lett., 586, 2012
1ITP
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BU of 1itp by Molmil
Solution Structure of POIA1
Descriptor: proteinase A inhibitor 1
Authors:Sasakawa, H, Yoshinaga, S, Kojima, S, Tamura, A.
Deposit date:2002-01-23
Release date:2002-02-13
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of POIA1, a homologous protein to the propeptide of subtilisin: implication for protein foldability and the function as an intramolecular chaperone.
J.Mol.Biol., 317, 2002
3X29
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BU of 3x29 by Molmil
CRYSTAL STRUCTURE of MOUSE CLAUDIN-19 IN COMPLEX with C-TERMINAL FRAGMENT OF CLOSTRIDIUM PERFRINGENS ENTEROTOXIN
Descriptor: Claudin-19, Heat-labile enterotoxin B chain
Authors:Saitoh, Y, Suzuki, H, Tani, K, Nishikawa, K, Irie, K, Ogura, Y, Tamura, A, Tsukita, S, Fujiyoshi, Y.
Deposit date:2014-12-13
Release date:2015-01-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural insight into tight junction disassembly by Clostridium perfringens enterotoxin
Science, 347, 2015
3ZLF
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BU of 3zlf by Molmil
Structure of group A Streptococcal enolase K312A mutant
Descriptor: ENOLASE, PHOSPHATE ION
Authors:Cork, A.J, Ericsson, D.J, Law, R.H.P, Casey, L.W, Valkov, E, Bertozzi, C, Stamp, A, Aquilina, J.A, Whisstock, J.C, Walker, M.J, Kobe, B.
Deposit date:2013-01-31
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Stability of the Octameric Structure Affects Plasminogen-Binding Capacity of Streptococcal Enolase.
Plos One, 10, 2015
6ZPE
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BU of 6zpe by Molmil
Nonstructural protein 10 (nsp10) from SARS CoV-2
Descriptor: CHLORIDE ION, GLYCEROL, Replicase polyprotein 1ab, ...
Authors:Fisher, S.Z, Kozielski, F.
Deposit date:2020-07-08
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
1K2G
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BU of 1k2g by Molmil
Structural basis for the 3'-terminal guanosine recognition by the group I intron
Descriptor: 5'-R(*CP*AP*GP*AP*CP*UP*UP*CP*GP*GP*UP*CP*GP*CP*AP*GP*AP*GP*AP*UP*GP*G)-3'
Authors:Kitamura, Y, Muto, Y, Watanabe, S, Kim, I, Ito, T, Nishiya, Y, Sakamoto, K, Ohtsuki, T, Kawai, G, Watanabe, K, Hosono, K, Takaku, H, Katoh, E, Yamazaki, T, Inoue, T, Yokoyama, S.
Deposit date:2001-09-27
Release date:2002-05-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of an RNA fragment with the P7/P9.0 region and the 3'-terminal guanosine of the tetrahymena group I intron.
RNA, 8, 2002
3VYW
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BU of 3vyw by Molmil
Crystal structure of MNMC2 from Aquifex Aeolicus
Descriptor: BENZAMIDINE, MNMC2, S-ADENOSYLMETHIONINE
Authors:Shibata, R, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2012-10-03
Release date:2012-10-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Characterization and structure of the Aquifex aeolicus protein DUF752: a bacterial tRNA-methyltransferase (MnmC2) functioning without the usually fused oxidase domain (MnmC1).
J.Biol.Chem., 287, 2012
3KET
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BU of 3ket by Molmil
Crystal structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae bound to a palindromic operator
Descriptor: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*AP*AP*T)-3'), DNA (5'-D(P*AP*TP*TP*TP*CP*AP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Thiyagarajan, S, Logan, D, von Wachenfeldt, C.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence.
Plos Pathog., 17, 2021
3KEO
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BU of 3keo by Molmil
Crystal Structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae complexed with NAD+
Descriptor: CHLORIDE ION, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Thiyagarajan, S, Logan, D, von Wachenfeldt, C.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence.
Plos Pathog., 17, 2021
3KEQ
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BU of 3keq by Molmil
Crystal structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae complexed with NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Redox-sensing transcriptional repressor rex
Authors:Thiyagarajan, S, Logan, D, von Wachenfeldt, C.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence.
Plos Pathog., 17, 2021

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