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5O76
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BU of 5o76 by Molmil
Structure of phosphoY371 c-CBL in complex with ZAP70-peptide and UbV.pCBL ubiquitin variant
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL, Tyrosine protein kinase ZAP70 peptide, ...
著者Gabrielsen, M, Buetow, L, Huang, D.T.
登録日2017-06-08
公開日2017-11-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.473 Å)
主引用文献A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
7LK0
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BU of 7lk0 by Molmil
Ornithine Aminotransferase (OAT) cocrystallized with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148)
分子名称: (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial
著者Butrin, A, Shen, S, Liu, D, Silverman, R.
登録日2021-02-01
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
3EUD
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BU of 3eud by Molmil
Structure of the CS domain of the essential H/ACA RNP assembly protein Shq1p
分子名称: Protein SHQ1
著者Singh, M, Cascio, D, Gonzales, F.A, Heckmann, N, Chanfreau, G, Feigon, J.
登録日2008-10-09
公開日2008-11-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and Functional Studies of the CS Domain of the Essential H/ACA Ribonucleoparticle Assembly Protein SHQ1.
J.Biol.Chem., 284, 2009
4PHM
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BU of 4phm by Molmil
The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids
分子名称: 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid, CALCIUM ION, Calpain small subunit 1
著者Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B.
登録日2014-05-06
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
5OES
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BU of 5oes by Molmil
The structure of a glutathione synthetase (StGSS1) from Solanum tuberosum in ADP and y-EC bound closed conformation.
分子名称: ADENOSINE-5'-DIPHOSPHATE, GAMMA-GLUTAMYLCYSTEINE, Glutathione synthetase, ...
著者Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
登録日2017-07-10
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
5YEM
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BU of 5yem by Molmil
CATPO mutant - T188F
分子名称: CALCIUM ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE
著者Yuzugullu Karakus, Y, Balci, S, Goc, G, Pearson, A.R, Yorke, B.
登録日2017-09-18
公開日2018-07-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 80, 2024
7LK1
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BU of 7lk1 by Molmil
Ornithine Aminotransferase (OAT) with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) - 1 Hour Soaking
分子名称: (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial
著者Butrin, A, Shen, S, Liu, D, Silverman, R.
登録日2021-02-01
公開日2022-02-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
5IXA
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BU of 5ixa by Molmil
HCMV DNA polymerase processivity subunit UL44 at neutral pH and low salt
分子名称: DNA polymerase processivity factor
著者Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
登録日2016-03-23
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.684 Å)
主引用文献A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
7BAS
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BU of 7bas by Molmil
A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe.
分子名称: CC-Type2-(TgLaId)4-W19BrPhe.
著者Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N.
登録日2020-12-16
公開日2021-04-28
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
5YIV
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BU of 5yiv by Molmil
Caulobacter crescentus GcrA DNA-binding domain(DBD) in complex with methylated dsDNA(crystal form 1)
分子名称: Cell cycle regulatory protein GcrA, DNA (5'-D(*CP*CP*GP*(6MA)P*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*(6MA)P*TP*TP*CP*G)-3')
著者Wu, X, Zhang, Y.
登録日2017-10-06
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.914 Å)
主引用文献Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA.
Nucleic Acids Res., 46, 2018
5O21
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BU of 5o21 by Molmil
Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride bound in the active site
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase WNK3
著者Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Fairhead, M, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2017-05-19
公開日2017-06-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride bound in the active site
To Be Published
7BAU
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BU of 7bau by Molmil
A de novo pentameric coiled-coil assembly: CC-Type2-(TgIaId)4-W19BrPhe.
分子名称: CC-Type2-(TgLaId)4-W19BrPhe.
著者Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N.
登録日2020-12-16
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
7BAV
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BU of 7bav by Molmil
A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe.
分子名称: CC-Type2-(TgLaId)4-W19BrPhe
著者Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N.
登録日2020-12-16
公開日2021-04-28
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
7BAW
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BU of 7baw by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4
分子名称: CC-Type2-(GgIaId)4, GLYCEROL, N-PROPANOL
著者Martin, F.J.O, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2020-12-16
公開日2021-04-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
5CWB
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BU of 5cwb by Molmil
Crystal structure of de novo designed helical repeat protein DHR4
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-27
公開日2015-12-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
6UZR
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BU of 6uzr by Molmil
Crystal structure of GLUN1/GLUN2A ligand-binding domain in complex with glycine and homoquinolinic acid
分子名称: 3-(carboxymethyl)pyridine-2-carboxylic acid, GLYCEROL, GLYCINE, ...
著者Wang, J.X, Furukawa, H.
登録日2019-11-15
公開日2020-01-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis of subtype-selective competitive antagonism for GluN2C/2D-containing NMDA receptors.
Nat Commun, 11, 2020
5CWK
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BU of 5cwk by Molmil
Crystal structure of de novo designed helical repeat protein DHR53
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5HK6
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BU of 5hk6 by Molmil
Bacterial sodium channel neck 3G mutant, SAD
分子名称: Ion transport protein
著者Rohaim, A, Minor, D.L.
登録日2016-01-13
公開日2016-03-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
5HKD
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BU of 5hkd by Molmil
Bacterial sodium channel neck 7G mutant
分子名称: CALCIUM ION, Ion transport protein
著者Rohaim, A, Minor, D.L.
登録日2016-01-13
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
6V0P
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BU of 6v0p by Molmil
PRMT5 complex bound to covalent PBM inhibitor BRD6711
分子名称: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide, CHLORIDE ION, GLYCEROL, ...
著者McMillan, B.J, McKinney, D.C.
登録日2019-11-19
公開日2020-11-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
8HW5
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BU of 8hw5 by Molmil
Crystal structure of African swine fever virus CP312R
分子名称: ACETIC ACID, CP312R
著者Wang, W.M, Wang, Z.Y, Fu, D, Guo, Y.
登録日2022-12-29
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献African swine fever virus CP312R is essential for virus replication and inhibits host protein expression by interacting with RPS27A
To Be Published
6Y0Z
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BU of 6y0z by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126K
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
登録日2020-02-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
2K0N
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BU of 2k0n by Molmil
Solution Structure of Yeast Gal11p kix domain
分子名称: Mediator of RNA polymerase II transcription subunit 15
著者Arthanari, H, Frueh, D.P, Wagner, G.K, Naar, A.M.
登録日2008-02-04
公開日2008-03-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A nuclear receptor-like pathway regulating multidrug resistance in fungi.
Nature, 452, 2008
3T7M
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BU of 3t7m by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese and UDP, in a triclinic closed form
分子名称: 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION, ...
著者Chaikuad, A, Froese, D.S, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2011-07-30
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4RL0
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BU of 4rl0 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
分子名称: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION
著者Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
登録日2014-10-14
公開日2014-11-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014

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件を2025-06-04に公開中

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