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4I37
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BU of 4i37 by Molmil
Crystal structure of rabbit ryanodine receptor 1 (residues 1-536) disease mutant R402G
分子名称: Ryanodine receptor 1
著者Kimlicka, L, Van Petegem, F.
登録日2012-11-25
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Disease mutations in the ryanodine receptor N-terminal region couple to a mobile intersubunit interface.
Nat Commun, 4, 2013
1PI5
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BU of 1pi5 by Molmil
Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K.
登録日2003-05-29
公開日2004-02-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
4AUW
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BU of 4auw by Molmil
CRYSTAL STRUCTURE OF THE BZIP HOMODIMERIC MAFB IN COMPLEX WITH THE C- MARE BINDING SITE
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C-MARE BINDING SITE (5'-D(*AP*TP*AP*AP*TP*GP*CP*TP* GP*AP*CP*GP*TP*CP*AP*GP*CP*AP*AP*TP*T)-3'), MERCURY (II) ION, ...
著者Textor, L.C, Holton, S, Wilmanns, M.
登録日2012-05-22
公開日2013-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Expression, purification, crystallization and preliminary crystallographic analysis of the mouse transcription factor MafB in complex with its DNA-recognition motif Cmare
Acta Crystallogr Sect F Struct Biol Cryst Commun., 63, 2007
3KY2
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BU of 3ky2 by Molmil
Crystal structure of Fibroblast Growth Factor Receptor 1 kinase domain
分子名称: Basic fibroblast growth factor receptor 1, SULFATE ION
著者Bae, J.H, Boggon, T.J, Tome, F, Mandiyan, V, Lax, I, Schlessinger, J.
登録日2009-12-04
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Asymmetric receptor contact is required for tyrosine autophosphorylation of fibroblast growth factor receptor in living cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XKL
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BU of 2xkl by Molmil
Crystal Structure of Mouse Apolipoprotein M
分子名称: 1,2-ETHANEDIOL, APOLIPOPROTEIN M, GLYCEROL, ...
著者Sevvana, M, Kassler, K, Josefin, A, Weiler, S, Dahlback, B, Sticht, H, Muller, Y.A.
登録日2010-07-09
公開日2010-10-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mouse Apom Displays an Unprecedented Seven-Stranded Lipocalin Fold: Folding Decoy or Alternative Native Fold?
J.Mol.Biol., 404, 2010
5U6J
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BU of 5u6j by Molmil
Factor VIIa in complex with the inhibitor 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide
分子名称: 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide, CALCIUM ION, Coagulation factor VII Heavy Chain, ...
著者Wei, A.
登録日2016-12-08
公開日2017-05-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Neutral macrocyclic factor VIIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3GJU
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BU of 3gju by Molmil
Crystal structure of a putative aminotransferase (mll7127) from mesorhizobium loti maff303099 at 1.55 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PYRIDOXAL-5'-PHOSPHATE, Putative aminotransferase
著者Joint Center for Structural Genomics (JCSG)
登録日2009-03-09
公開日2009-03-17
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of putative aminotransferase (NP_107505.1) from Mesorhizobium loti at 1.55 A resolution
To be published
6MBU
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BU of 6mbu by Molmil
Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3)
分子名称: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K.
登録日2018-08-30
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
2XPH
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BU of 2xph by Molmil
Crystal structure of human SENP1 with the bound cobalt
分子名称: COBALT (II) ION, GLYCEROL, SENTRIN-SPECIFIC PROTEASE 1
著者Rimsa, V, Eadsforth, T, Hay, R.T, Hunter, W.N.
登録日2010-08-26
公開日2010-09-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Role of Co2+ in the Crystallization of Human Senp1 and Comments on the Limitations of Automated Refinement Protocols
Acta Crystallogr.,Sect.F, 67, 2011
5XGT
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BU of 5xgt by Molmil
Crystal structure of the N-terminal domain of Staphylococcus aureus single-stranded DNA-binding protein SsbA at 1.82 angstrom resolution
分子名称: GLYCEROL, Single-stranded DNA-binding protein
著者Huang, Y.H, Chen, C.J, Huang, C.Y.
登録日2017-04-17
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Staphylococcus aureus single-stranded DNA-binding protein SsbA can bind but cannot stimulate PriA helicase.
PLoS ONE, 12, 2017
6MDX
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BU of 6mdx by Molmil
Mechanism of protease dependent DPC repair
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DNA (5'-D(P*CP*C)-3'), ...
著者Li, F, Raczynska, J, Chen, Z, Yu, H.
登録日2018-09-05
公開日2019-04-10
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Insight into DNA-Dependent Activation of Human Metalloprotease Spartan.
Cell Rep, 26, 2019
5POF
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BU of 5pof by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10941a
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-(1-benzylpiperidin-4-yl)acetamide, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4Q2J
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BU of 4q2j by Molmil
A novel structure-based mechanism for DNA-binding of SATB1
分子名称: DNA-binding protein SATB1
著者Wang, Z, Long, J, Yang, X, Shen, Y.
登録日2014-04-08
公開日2015-03-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Crystal structure of the ubiquitin-like domain-CUT repeat-like tandem of special AT-rich sequence binding protein 1 (SATB1) reveals a coordinating DNA-binding mechanism.
J.Biol.Chem., 289, 2014
5XHW
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BU of 5xhw by Molmil
Crystal structure of HddC from Yersinia pseudotuberculosis
分子名称: Putative 6-deoxy-D-mannoheptose pathway protein, SULFATE ION
著者Park, J, Kim, H, Kim, S, Shin, D.H.
登録日2017-04-24
公開日2018-04-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of d-glycero-alpha-d-manno-heptose-1-phosphate guanylyltransferase from Yersinia pseudotuberculosis.
Biochim. Biophys. Acta, 1866, 2018
7G1O
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BU of 7g1o by Molmil
Crystal Structure of human FABP4 in complex with 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide, i.e. SMILES S(=O)(=O)(NC1=CC=NN1C)c1cc(c(cc1C)Cl)C with IC50=0.146 microM
分子名称: 4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
5UEW
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BU of 5uew by Molmil
BRD2 Bromodomain2 with A-1360579
分子名称: Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
2Y2L
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BU of 2y2l by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E06)
分子名称: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
著者Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
登録日2010-12-15
公開日2011-08-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
3KOP
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BU of 3kop by Molmil
Crystal structure of Protein with a cyclophilin-like fold (YP_831253.1) from Arthrobacter sp. FB24 at 1.90 A resolution
分子名称: Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2009-11-13
公開日2009-11-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Protein with a cyclophilin-like fold (YP_831253.1) from Arthrobacter sp. FB24 at 1.90 A resolution
To be published
5UQ0
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BU of 5uq0 by Molmil
FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
分子名称: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide, Fibroblast growth factor receptor 1
著者Paik, W.-K, Squire, C.J.
登録日2017-02-05
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment screening diverse active sites
To Be Published
3SN6
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BU of 3sn6 by Molmil
Crystal structure of the beta2 adrenergic receptor-Gs protein complex
分子名称: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid antibody VHH fragment, Endolysin,Beta-2 adrenergic receptor, ...
著者Rasmussen, S.G.F, DeVree, B.T, Zou, Y, Kruse, A.C, Chung, K.Y, Kobilka, T.S, Thian, F.S, Chae, P.S, Pardon, E, Calinski, D, Mathiesen, J.M, Shah, S.T.A, Lyons, J.A, Caffrey, M, Gellman, S.H, Steyaert, J, Skiniotis, G, Weis, W.I, Sunahara, R.K, Kobilka, B.K.
登録日2011-06-28
公開日2011-07-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the beta2 adrenergic receptor-Gs protein complex
Nature, 477, 2011
7JKS
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BU of 7jks by Molmil
Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a in complex with HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 core, The heavy chain of antibody 2411a, ...
著者Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R.
登録日2020-07-28
公開日2021-06-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth.
Immunity, 54, 2021
4Q0H
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BU of 4q0h by Molmil
Deinococcus radiodurans BphP PAS-GAF
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, CHLORIDE ION, ...
著者Burgie, E.S, Vierstra, R.D.
登録日2014-04-02
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.157 Å)
主引用文献Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
3GRD
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BU of 3grd by Molmil
Crystal structure of NTF2-superfamily protein with unknown function (NP_977240.1) from BACILLUS CEREUS ATCC 10987 at 1.25 A resolution
分子名称: ACETATE ION, SODIUM ION, uncharacterized NTF2-superfamily protein
著者Joint Center for Structural Genomics (JCSG)
登録日2009-03-25
公開日2009-04-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of NTF2-superfamily protein with unknown function (NP_977240.1) from BACILLUS CEREUS ATCC 10987 at 1.25 A resolution
To be published
5UR6
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BU of 5ur6 by Molmil
PYR1 bound to the rationally designed agonist cyanabactin
分子名称: Abscisic acid receptor PYR1, N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide, SULFATE ION
著者Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R.
登録日2017-02-09
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration.
ACS Chem. Biol., 12, 2017
4Q63
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Crystal Structure of Legionella Uncharacterized Protein Lpg0364
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
著者Kim, Y, Evdokimova, E, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-04-21
公開日2014-05-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Crystal Structure of Legionella Uncharacterized Protein Lpg0364
To be Published

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