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4AU8
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BU of 4au8 by Molmil
Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
分子名称: 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide, CYCLIN-DEPENDENT KINASE 5, IMIDAZOLE, ...
著者Malmstrom, J, Viklund, J, Slivo, C, Costa, A, Maudet, M, Sandelin, C, Hiller, G, Olsson, L.L, Aagaard, A, Geschwindner, S, Xue, Y, Vasange, M.
登録日2012-05-14
公開日2013-03-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4CBU
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BU of 4cbu by Molmil
Crystal structure of Plasmodium falciparum actin I
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-1, CALCIUM ION, ...
著者Vahokoski, J, Bhargav, S.P, Desfosses, A, Andreadaki, M, Kumpula, E.P, Ignatev, A, Munico Martinez, S, Lepper, S, Frischknecht, F, Siden-Kiamos, I, Sachse, C, Kursula, I.
登録日2013-10-16
公開日2014-04-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Differences Explain Diverse Functions of Plasmodium Actins.
Plos Pathog., 10, 2014
4AIW
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BU of 4aiw by Molmil
GAPR-1 with bound inositol hexakisphosphate
分子名称: GOLGI-ASSOCIATED PLANT PATHOGENESIS-RELATED PROTEIN 1, INOSITOL HEXAKISPHOSPHATE
著者Schouten, A, Gros, P, Helms, J.B.
登録日2012-02-15
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interaction of Gapr-1 with Lipid Bilayers is Regulated by Alternative Homodimerization.
Biochim.Biophys.Acta, 1818, 2012
1CLU
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BU of 1clu by Molmil
H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GTP
分子名称: 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION, TRANSFORMING PROTEIN P21/H-RAS-1
著者Ahmadian, M.R, Zor, T, Vogt, D, Kabsch, W, Selinger, Z, Wittinghofer, A, Scheffzek, K.
登録日1999-05-03
公開日1999-05-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Guanosine triphosphatase stimulation of oncogenic Ras mutants.
Proc.Natl.Acad.Sci.USA, 96, 1999
3SHG
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BU of 3shg by Molmil
VBHT Fic protein from BARTONELLA SCHOENBUCHENSIS in complex with VBHA antitoxin
分子名称: L(+)-TARTARIC ACID, VbhA, VbhT
著者Goepfert, A, Schirmer, T.
登録日2011-06-16
公開日2012-01-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
4AH4
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BU of 4ah4 by Molmil
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with BGA Oligosaccharide.
分子名称: CHLORIDE ION, FUCOSE-SPECIFIC LECTIN FLEA, alpha-L-fucopyranose, ...
著者Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
登録日2012-02-03
公開日2013-02-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent
Acta Crystallogr.,Sect.D, 71, 2015
4C9W
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BU of 4c9w by Molmil
Crystal structure of NUDT1 (MTH1) with R-crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
著者Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2013-10-03
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
4AEO
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BU of 4aeo by Molmil
Structure of Xenobiotic Reductase B from Pseudomonas putida in complex with TNT
分子名称: 2,4,6-TRINITROTOLUENE, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Carvalho, A.L, Mukhopadhyay, A, Romao, M.J, Bursakov, S, Kladova, A, Ramos, J.L, van Dillewijn, P.
登録日2012-01-11
公開日2013-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants of Aromatic Ring Reduction in the Xenobiotic Reductase B from Pseudomonas Putida
To be Published
6TCU
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BU of 6tcu by Molmil
Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1
分子名称: 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta
著者Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R.
登録日2019-11-06
公開日2020-09-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model.
Acs Med.Chem.Lett., 11, 2020
2IA2
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BU of 2ia2 by Molmil
The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1
分子名称: Putative Transcriptional Regulator
著者Cymborowski, M.T, Chruszcz, M, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-06
公開日2006-10-10
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1
To be Published
6T5Z
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BU of 6t5z by Molmil
Crystal structure of an AA10 LPMO from Photorhabdus luminescens
分子名称: COPPER (II) ION, Chitin-binding type-4 domain-containing protein
著者Munzone, A, El Kerdi, B, Reglier, M, Royant, A, Simaan, A.J, Decroos, C.
登録日2019-10-17
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.60000312 Å)
主引用文献Characterization of a bacterial copper-dependent lytic polysaccharide monooxygenase with an unusual second coordination sphere.
Febs J., 287, 2020
4C8D
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BU of 4c8d by Molmil
Crystal structure of JmjC domain of human histone 3 Lysine-specific demethylase 3B (KDM3B)
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Vollmar, M, Johansson, C, Gileadi, C, Goubin, S, Szykowska, A, Krojer, T, Crawley, L, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2013-09-30
公開日2013-10-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of Jmjc Domain of Human Histone 3 Lysine-Specific Demethylase 3B (Kdm3B)
To be Published
1NRK
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BU of 1nrk by Molmil
YGFZ PROTEIN
分子名称: SULFATE ION, YGFZ Protein
著者Teplyakov, A, Obmolova, G, Gilliland, G.L, Structure 2 Function Project (S2F)
登録日2003-01-24
公開日2004-03-09
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the YgfZ protein from Escherichia coli suggests a folate-dependent regulatory role in one-carbon metabolism.
J.Bacteriol., 186, 2004
4AN1
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BU of 4an1 by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-4
分子名称: (2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide, GLYCEROL, PROLYL ENDOPEPTIDASE
著者Kaszuba, K, Rog, T, Danne, R, Canning, P, Fulop, V, Juhasz, T, Szeltner, Z, St-Pierre, J.F, Garcia-Horsman, A, Mannisto, P.T, Karttunen, M, Hokkanen, J, Bunker, A.
登録日2012-03-14
公開日2012-05-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Dynamics, Crystallography and Mutagenesis Studies on the Substrate Gating Mechanism of Prolyl Oligopeptidase.
Biochimie, 94, 2012
1AH3
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BU of 1ah3 by Molmil
ALDOSE REDUCTASE COMPLEXED WITH TOLRESTAT INHIBITOR
分子名称: ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
著者Moras, D, Podjarny, A.
登録日1997-04-12
公開日1998-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A 'specificity' pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil.
Structure, 5, 1997
7OBZ
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BU of 7obz by Molmil
Structure of RsLOV D109G
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, LOV protein, ...
著者Moeglich, A, Krafft, T.G.A, Weyand, M.
登録日2021-04-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Light-Oxygen-Voltage Receptor Integrates Light and Temperature.
J.Mol.Biol., 433, 2021
2EFK
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BU of 2efk by Molmil
Crystal structure of the EFC domain of Cdc42-interacting protein 4
分子名称: Cdc42-interacting protein 4
著者Shimada, A, Niwa, H, Chen, L, Liu, Z.-J, Wang, B.-C, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-23
公開日2007-05-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Curved EFC/F-BAR-Domain Dimers Are Joined End to End into a Filament for Membrane Invagination in Endocytosis
Cell(Cambridge,Mass.), 129, 2007
6TIP
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BU of 6tip by Molmil
Engineered streptavidin variant (YNAFM) in complex with the Strep-tag II peptide
分子名称: AMINO GROUP, Strep-tag II peptide, Streptavidin
著者Skerra, A, Eichinger, A.
登録日2019-11-22
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
4BW5
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BU of 4bw5 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, ...
著者Pike, A.C.W, Dong, Y.Y, Dong, L, Quigley, A, Shrestha, L, Mukhopadhyay, S, Strain-Damerell, C, Goubin, S, Grieben, M, Shintre, C.A, Mackenzie, A, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N, Carpenter, E.P.
登録日2013-06-30
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献K2P Channel Gating Mechanisms Revealed by Structures of Trek-2 and a Complex with Prozac
Science, 347, 2015
7OB0
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BU of 7ob0 by Molmil
Structure of RsLOV d2 variant
分子名称: ACETATE ION, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Moeglich, A, Krafft, T.G.A, Weyand, M.
登録日2021-04-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Light-Oxygen-Voltage Receptor Integrates Light and Temperature.
J.Mol.Biol., 433, 2021
4AQP
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BU of 4aqp by Molmil
The structure of the AXH domain of ataxin-1.
分子名称: ATAXIN-1, DI(HYDROXYETHYL)ETHER, SODIUM ION
著者Rees, M, Chen, Y.W, de Chiara, C, Pastore, A.
登録日2012-04-19
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.452 Å)
主引用文献Self-Assembly and Conformational Heterogeneity of the Axh Domain of Ataxin-1: An Unusual Example of a Chameleon Fold
Biophys.J., 104, 2013
4AJY
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BU of 4ajy by Molmil
von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide
分子名称: GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ...
著者Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A.
登録日2012-02-21
公開日2012-11-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
4CAY
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BU of 4cay by Molmil
Crystal structure of a human Anp32e-H2A.Z-H2B complex
分子名称: ACIDIC LEUCINE-RICH NUCLEAR PHOSPHOPROTEIN 32 FAMILY MEMBER E, HISTONE H2A.Z, HISTONE H2B TYPE 1-J
著者Obri, A, Ouararhni, K, Papin, C, Diebold, M.-L, Padmanabhan, K, Marek, M, Stoll, I, Roy, L, Reilly, P.T, Mak, T.W, Dimitrov, S, Romier, C, Hamiche, A.
登録日2013-10-09
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Anp32E is a Histone Chaperone that Removes H2A.Z from Chromatin
Nature, 648, 2014
7OGM
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BU of 7ogm by Molmil
A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. PNPase-3'ETS(leuZ)-Hfq
分子名称: 3'ETS(LeuZ), Polyribonucleotide nucleotidyltransferase, RNA-binding protein Hfq
著者Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K.
登録日2021-05-06
公開日2021-07-07
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation.
Mol.Cell, 81, 2021
7OGL
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BU of 7ogl by Molmil
A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. apo-PNPase
分子名称: Polyribonucleotide nucleotidyltransferase
著者Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K.
登録日2021-05-06
公開日2021-07-07
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation.
Mol.Cell, 81, 2021

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