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4J3L
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BU of 4j3l by Molmil
Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Descriptor: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4LD5
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BU of 4ld5 by Molmil
Crystal structure of MepR Q18P mutant from multidrug resistant S. aureus clinical isolate
Descriptor: MepR, SULFATE ION
Authors:Birukou, I, Brennan, R.G.
Deposit date:2013-06-24
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular mechanisms of allosteric mutations impairing MepR repressor function in multidrug-resistant strains of Staphylococcus aureus.
MBio, 4, 2013
4J31
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BU of 4j31 by Molmil
Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S.
Deposit date:2013-02-05
Release date:2013-04-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
3WJY
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BU of 3wjy by Molmil
Orotidine 5'-monophosphate decarboxylase K72A mutant from M. thermoautotrophicus complexed with 6-amino-UMP
Descriptor: 6-AMINOURIDINE 5'-MONOPHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fujihashi, M, Pai, E.F, Miki, K.
Deposit date:2013-10-17
Release date:2013-12-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase.
J.Am.Chem.Soc., 135, 2013
4IWQ
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BU of 4iwq by Molmil
Crystal structure and mechanism of activation of TBK1
Descriptor: N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
Authors:Panne, D, Larabi, A.
Deposit date:2013-01-24
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
3W43
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BU of 3w43 by Molmil
Crystal structure of RsbX in complex with manganese in space group P21
Descriptor: MANGANESE (II) ION, Phosphoserine phosphatase RsbX
Authors:Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
Deposit date:2013-01-04
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
4L0W
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BU of 4l0w by Molmil
Plasmodium yoelii Prx1a modified at the N-terminus forms an artifactual octamer
Descriptor: ACETATE ION, SULFATE ION, Thioredoxin peroxidase 1
Authors:Gretes, M.C, Karplus, P.A.
Deposit date:2013-06-01
Release date:2016-11-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Observed octameric assembly of a Plasmodium yoelii peroxiredoxin can be explained by the replacement of native "ball-and-socket" interacting residues by an affinity tag.
Protein Sci., 22, 2013
4L1T
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BU of 4l1t by Molmil
Transthyretin in complex with (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid
Descriptor: 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2013-06-03
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Fluorogenic small molecules requiring reaction with a specific protein to create a fluorescent conjugate for biological imaging-what we know and what we need to learn.
Biopolymers, 101, 2014
3WAA
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BU of 3waa by Molmil
The nucleosome containing human H2A.Z.2
Descriptor: DNA (146-MER), Histone H2A.V, Histone H2B type 1-J, ...
Authors:Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H.
Deposit date:2013-04-30
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2
Acta Crystallogr.,Sect.D, 69, 2013
4LDN
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BU of 4ldn by Molmil
Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-06-24
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
to be published
3WPG
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BU of 3wpg by Molmil
Crystal structure of mouse TLR9 in complex with inhibitory DNA4084 (form 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*CP*CP*TP*GP*GP*AP*TP*GP*GP*GP*AP*A)-3'), SULFATE ION, ...
Authors:Ohto, U, Shimizu, T.
Deposit date:2014-01-11
Release date:2015-02-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9
Nature, 520, 2015
4L7F
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BU of 4l7f by Molmil
Co-crystal Structure of JNK1 and AX13587
Descriptor: Mitogen-activated protein kinase 8, N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
Authors:Walter, R.L, Ranieri, G.M, Riggs, A.M, Weissig, H, Li, B, Shreder, K.R.
Deposit date:2013-06-13
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4LGY
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BU of 4lgy by Molmil
Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R.
Deposit date:2013-06-30
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Plos One, 8, 2013
8B5T
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BU of 8b5t by Molmil
Crystal structure of Quinonoid dihydropteridine reductase from Leishmania major
Descriptor: Quinonoid dihydropteridine reductase
Authors:Robinson, D.A, Fairlamb, A.H.
Deposit date:2022-09-24
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Quinonoid dihydropteridine reductase from Leishmania major
To Be Published
4IUF
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BU of 4iuf by Molmil
Crystal Structure of Human TDP-43 RRM1 Domain in Complex with a Single-stranded DNA
Descriptor: 5'-D(*GP*TP*TP*GP*(XUA)P*GP*CP*GP*T)-3', TAR DNA-binding protein 43
Authors:Kuo, P.H, Doudeva, L.G, Wang, Y.T, Yang, W.Z, Yuan, H.S.
Deposit date:2013-01-21
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:The crystal structure of TDP-43 RRM1-DNA complex reveals the specific recognition for UG- and TG-rich nucleic acids.
Nucleic Acids Res., 42, 2014
4LCO
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BU of 4lco by Molmil
Crystal structure of NE0047 with complex with substrate ammeline
Descriptor: 4,6-diamino-1,3,5-triazin-2-ol, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION
Authors:Bitra, A, Biswas, A, Anand, R.
Deposit date:2013-06-22
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Biochemistry, 52, 2013
4IWO
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BU of 4iwo by Molmil
Crystal structure and mechanism of activation of TBK1
Descriptor: N-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
Authors:Panne, D, Larabi, A.
Deposit date:2013-01-24
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
7OYH
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BU of 7oyh by Molmil
Crystal structure of depupylase Dop in complex with Pup and ADP/tetrafluoromagnesate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Cui, H.
Deposit date:2021-06-24
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Nat Commun, 12, 2021
7OYF
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BU of 7oyf by Molmil
Crystal structure of depupylase Dop in complex with Pup and ADP/trifluoromagnesate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Cui, H.
Deposit date:2021-06-24
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Nat Commun, 12, 2021
3WPI
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BU of 3wpi by Molmil
Crystal structure of mouse TLR9 in complex with inhibitory DNA_super
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*CP*CP*TP*CP*AP*AP*TP*AP*GP*GP*GP*TP*GP*AP*GP*GP*GP*G)-3'), Toll-like receptor 9
Authors:Ohto, U, Shimizu, T.
Deposit date:2014-01-11
Release date:2015-02-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9
Nature, 520, 2015
4J1L
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BU of 4j1l by Molmil
Mutant Endotoxin TeNT
Descriptor: Tetanus toxin, ZINC ION
Authors:Guo, J, Pan, X, Zhao, Y, Chen, S.
Deposit date:2013-02-01
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering Clostridia Neurotoxins with elevated catalytic activity
Toxicon, 74, 2013
3WVP
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BU of 3wvp by Molmil
Time-Resolved Crystal Structure of HindIII with 60sec soaking
Descriptor: DNA (5'-D(*GP*CP*CP*A)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*C)-3'), DNA (5'-D(P*AP*GP*CP*TP*TP*GP*GP*C)-3'), ...
Authors:Kawamura, T, Kobayashi, T, Watanabe, N.
Deposit date:2014-06-02
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Analysis of the HindIII-catalyzed reaction by time-resolved crystallography
Acta Crystallogr.,Sect.D, 71, 2015
4IWP
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BU of 4iwp by Molmil
Crystal structure and mechanism of activation of TBK1
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Panne, D, Larabi, A.
Deposit date:2013-01-24
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.065 Å)
Cite:Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
8B8A
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BU of 8b8a by Molmil
Multimerization domain of borna disease virus 1 phosphoprotein
Descriptor: Phosphoprotein
Authors:Tarbouriech, N, Legrand, P, Bourhis, J.M, Chenavier, F, Freslon, L, Kawasaki, J, Horie, M, Tomonaga, K, Bachiri, K, Coyaud, E, Gonzalez-Dunia, D, Ruigrok, R.W.H, Crepin, T.
Deposit date:2022-10-04
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Borna Disease Virus 1 Phosphoprotein Forms a Tetramer and Interacts with Host Factors Involved in DNA Double-Strand Break Repair and mRNA Processing.
Viruses, 14, 2022
4L9T
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BU of 4l9t by Molmil
Crystal structure of MepR F27L mutant from multidrug resistant S. aureus clinical isolate
Descriptor: MepR, SULFATE ION
Authors:Birukou, I, Brennan, R.G.
Deposit date:2013-06-18
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:The molecular mechanisms of allosteric mutations impairing MepR repressor function in multidrug-resistant strains of Staphylococcus aureus.
MBio, 4, 2013

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数据于2024-09-25公开中

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