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6GOF
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BU of 6gof by Molmil
KRAS full length G12D GPPNHP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6QEE
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BU of 6qee by Molmil
Nanodisc reconstituted Human-mouse chimeric ABCB1 (ABCB1HM)-EQ mutant in complex with UIC2 Fab and Zosuquidar.
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ABCB1HM-EQ, ...
著者Alam, A.
登録日2019-01-07
公開日2019-02-27
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insight into substrate and inhibitor discrimination by human P-glycoprotein.
Science, 363, 2019
3E0P
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BU of 3e0p by Molmil
The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor
分子名称: GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-07-31
公開日2008-09-09
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
6GTU
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BU of 6gtu by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with fragment J6
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine, ...
著者Bertoletti, N, Heine, A, Marchais-Oberwinkler, S, Klebe, G.
登録日2018-06-19
公開日2019-07-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献X-ray Crystallographic Fragment screening and Hit Optimization
To Be Published
6QAQ
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BU of 6qaq by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6GNP
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BU of 6gnp by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.019 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
3ALP
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BU of 3alp by Molmil
Cell adhesion protein
分子名称: CITRIC ACID, HEXANE-1,6-DIOL, Poliovirus receptor-related protein 1
著者Narita, H, Nakagawa, A, Suzuki, M.
登録日2010-08-05
公開日2011-02-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Crystal Structure of the cis-Dimer of Nectin-1: implications for the architecture of cell-cell junctions
J.Biol.Chem., 286, 2011
3QXH
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BU of 3qxh by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ADP and 8-aminocaprylic acid
分子名称: 1,2-ETHANEDIOL, 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, ...
著者Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Minor, C, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-03-01
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
5EDB
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BU of 5edb by Molmil
human fatty acid binding protein 4 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid at 1.18A
分子名称: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Rudolph, M.G, Ehler, A.
登録日2015-10-21
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
6QAY
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BU of 6qay by Molmil
Structural investigation of the TasA anchoring protein TapA from Bacillus subtilis
分子名称: TasA anchoring/assembly protein
著者Higman, V.A, Schmieder, P, Diehl, A, Oschkinat, H.
登録日2018-12-20
公開日2020-01-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献TapA acts as specific chaperone in TasA filament formation by strand complementation.
Proc.Natl.Acad.Sci.USA, 120, 2023
4GUI
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BU of 4gui by Molmil
1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate
分子名称: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase, NICKEL (II) ION
著者Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-29
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation.
Biochemistry, 53, 2014
3RMP
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BU of 3rmp by Molmil
Structural basis for the recognition of attP substrates by P4-like integrases
分子名称: 5'-D(*TP*AP*AP*TP*GP*AP*CP*CP*AP*CP*CP*AP*AP*TP*A)-3', 5'-D(*TP*AP*TP*TP*GP*GP*TP*GP*GP*TP*CP*AP*TP*TP*A)-3', CP4-like integrase
著者Szwagierczak, A, Popowicz, G.M, Holak, T.A, Rakin, A, Antonenka, U.
登録日2011-04-21
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis for the recognition of attP substrates by P4-like integrases
To be Published
3AT9
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BU of 3at9 by Molmil
Crystal Structure of the Kir3.2 Cytoplasmic Domain (Na+-free crystal soaked in 10 mM barium chloride and 10 mM magnesium chloride)
分子名称: MAGNESIUM ION, Potassium inwardly-rectifying channel, subfamily J, ...
著者Inanobe, A, Kurachi, Y.
登録日2010-12-28
公開日2011-10-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Interactions of cations with the cytoplasmic pores of inward rectifier K(+) channels in the closed state
J.Biol.Chem., 286, 2011
3RPF
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BU of 3rpf by Molmil
Protein-protein complex of subunit 1 and 2 of Molybdopterin-converting factor from Helicobacter pylori 26695
分子名称: 1,2-ETHANEDIOL, Molybdopterin converting factor, subunit 1 (MoaD), ...
著者Nocek, B, Stein, A, Marshall, N, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-04-26
公開日2011-06-29
最終更新日2012-01-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein-protein complex of subunit 1 and 2 of Molybdopterin-converting factor from Helicobacter pylori 26695
TO BE PUBLISHED
6PWX
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BU of 6pwx by Molmil
Cryo-EM structure of RbBP5 bound to the nucleosome
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
1L1O
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BU of 1l1o by Molmil
Structure of the human Replication Protein A (RPA) trimerization core
分子名称: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit, Replication protein A 70 kDa DNA-binding subunit, ...
著者Bochkareva, E.V, Korolev, S, Lees-Miller, S.P, Bochkarev, A.
登録日2002-02-19
公開日2002-06-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the RPA trimerization core and its role in the multistep DNA-binding mechanism of RPA.
EMBO J., 21, 2002
5UZ8
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BU of 5uz8 by Molmil
Crystal Structure of Mouse Cadherin-23 EC22-24
分子名称: CALCIUM ION, CHLORIDE ION, Cadherin-23, ...
著者Patel, A, Jaiganesh, A, Sotomayor, M.
登録日2017-02-25
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 26, 2018
6H0I
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BU of 6h0i by Molmil
Solution structure of Melampsora larici-populina MlpP4.1
分子名称: Secreted protein
著者Tsan, P, Petre, B, Hecker, A, Rouhier, N, Duplessis, S.
登録日2018-07-09
公開日2018-08-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds.
Sci Rep, 9, 2019
6PYI
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BU of 6pyi by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA
分子名称: ALANINE, Putative methyl-accepting chemotaxis protein
著者Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
登録日2019-07-29
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
6Q0F
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BU of 6q0f by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-valine
分子名称: CHLORIDE ION, Putative methyl-accepting chemotaxis protein, SODIUM ION, ...
著者Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
登録日2019-08-01
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
2IKS
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BU of 2iks by Molmil
Crystal structure of N-terminal truncated DNA-binding transcriptional dual regulator from Escherichia coli K12
分子名称: DNA-binding transcriptional dual regulator
著者Chang, C, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-10-02
公開日2006-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of N-terminal truncated DNA-binding transcriptional dual regulator from Escherichia coli K12
To be Published
5EIF
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BU of 5eif by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB2C3
分子名称: 2-azanyl-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-29
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
6GQW
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BU of 6gqw by Molmil
KRAS-169 Q61H GPPNHP + CH-1
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6Q3E
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BU of 6q3e by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 274.4 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-04
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
5EHG
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BU of 5ehg by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341
分子名称: 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid, RNA-directed RNA polymerase NS5, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-28
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016

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