6GIN
 
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group. | | 分子名称: | 1,2-ETHANEDIOL, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one, Activin receptor type-1, ... | | 著者 | Williams, E, Hudson, L, Bezerra, G.A, Kopec, J, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2018-05-14 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
|
|
5MAJ
 | | CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L1, ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine | | 著者 | Kuglstatter, A, Stihle, M, Benz, J. | | 登録日 | 2016-11-03 | | 公開日 | 2017-01-11 | | 最終更新日 | 2017-02-22 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
|
|
5FL5
 | | Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ... | | 著者 | Leitans, J, Tars, K, Zalubovskis, R. | | 登録日 | 2015-10-21 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
|
|
5MBH
 | | Structure of a bacterial light-regulated adenylyl cyclase | | 分子名称: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | | 登録日 | 2016-11-08 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
|
|
5MQ8
 | | Crystal structure of Rae1 (YacP) from Bacillus subtilis | | 分子名称: | GLYCEROL, Uncharacterized protein YacP | | 著者 | Piton, J, Gilet, L, Pellegrini, O, Leroy, M, Figaro, S, Condon, C. | | 登録日 | 2016-12-20 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Rae1/YacP, a new endoribonuclease involved in ribosome-dependent mRNA decay in Bacillus subtilis.
EMBO J., 36, 2017
|
|
3WP0
 | | Crystal structure of Dlg GK in complex with a phosphor-Lgl2 peptide | | 分子名称: | Disks large homolog 4, GLYCEROL, Lethal(2) giant larvae protein homolog 2 | | 著者 | Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M. | | 登録日 | 2014-01-08 | | 公開日 | 2014-03-19 | | 最終更新日 | 2014-04-30 | | 実験手法 | X-RAY DIFFRACTION (2.039 Å) | | 主引用文献 | Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
|
|
6GM0
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E279Q | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | 著者 | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | 登録日 | 2018-05-24 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
|
|
5MQG
 | |
5FQB
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C | | 分子名称: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE 2, GLYCEROL, ... | | 著者 | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2015-12-08 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
|
|
3IYG
 | | Ca model of bovine TRiC/CCT derived from a 4.0 Angstrom cryo-EM map | | 分子名称: | T-complex protein 1 subunit, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | | 著者 | Cong, Y, Baker, M.L, Ludtke, S.J, Frydman, J, Chiu, W. | | 登録日 | 2009-11-28 | | 公開日 | 2010-03-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | 4.0-A resolution cryo-EM structure of the mammalian chaperonin TRiC/CCT reveals its unique subunit arrangement.
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
4R6D
 | |
3J0C
 | | Models of E1, E2 and CP of Venezuelan Equine Encephalitis Virus TC-83 strain restrained by a near atomic resolution cryo-EM map | | 分子名称: | Capsid protein, E1 envelope glycoprotein, E2 envelope glycoprotein | | 著者 | Zhang, R, Hryc, C.F, Cong, Y, Liu, X, Jakana, J, Gorchakov, R, Baker, M.L, Weaver, S.C, Chiu, W. | | 登録日 | 2011-06-22 | | 公開日 | 2011-08-24 | | 最終更新日 | 2018-07-18 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | 4.4 A cryo-EM structure of an enveloped alphavirus Venezuelan equine encephalitis virus.
Embo J., 30, 2011
|
|
2VP7
 | | Decoding of methylated histone H3 tail by the Pygo-BCL9 Wnt signaling complex | | 分子名称: | B-CELL CLL/LYMPHOMA 9 PROTEIN, PYGOPUS HOMOLOG 1, SULFATE ION, ... | | 著者 | Fiedler, M, Sanchez-Barrena, M.J, Nekrasov, M, Mieszczanek, J, Rybin, V, Muller, J, Evans, P, Bienz, M. | | 登録日 | 2008-02-26 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Decoding of Methylated Histone H3 Tail by the Pygo- Bcl9 Wnt Signaling Complex.
Mol.Cell, 30, 2008
|
|
5FWY
 | | Crystal structure of the AMPA receptor GluA2/A3 N-terminal domain heterodimer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMATE RECEPTOR 2, GLUTAMATE RECEPTOR 3, ... | | 著者 | Herguedas, B, Garcia-Nafria, J, Greger, I.H. | | 登録日 | 2016-02-21 | | 公開日 | 2016-03-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure and Organization of Heteromeric Ampa-Type Glutamate Receptors.
Science, 352, 2016
|
|
5FPI
 | |
5LS3
 | |
8G10
 | |
8G1J
 | |
8G23
 | |
4Z9D
 | | EcPltA | | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pertussis toxin-like subunit ArtA, SODIUM ION | | 著者 | Littler, D.R, Johnson, M.D, Summers, R.J, Schembri, M.A, Rossjohn, J, Beddoe, T. | | 登録日 | 2015-04-10 | | 公開日 | 2016-10-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure and function analyses of a pertussis-like toxin from pathogenic Escherichia coli reveal a distinct mechanism of inhibition of trimeric G proteins.
J. Biol. Chem., 2017
|
|
4FVJ
 | |
4R2F
 | | Crystal structure of sugar transporter ACHL_0255 from Arthrobacter chlorophenolicus A6, target EFI-510633, with bound laminaribiose | | 分子名称: | Extracellular solute-binding protein family 1, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-08-11 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of sugar transporter ACHL_0255 from Arthrobacter chlorophenolicus, target EFI-510633
To be Published
|
|
5M5E
 | | Crystal structure of a interleukin-2 variant in complex with interleukin-2 receptor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Klein, C, Freimoser-Grundschober, A, Waldhauer, I, Stihle, M, Birk, M, Benz, J. | | 登録日 | 2016-10-21 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cergutuzumab amunaleukin (CEA-IL2v), a CEA-targeted IL-2 variant-based immunocytokine for combination cancer immunotherapy: Overcoming limitations of aldesleukin and conventional IL-2-based immunocytokines.
Oncoimmunology, 6, 2017
|
|
5EGO
 | | HOXB13-MEIS1 heterodimer bound to methylated DNA | | 分子名称: | DNA (5'-D(*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ... | | 著者 | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | 登録日 | 2015-10-27 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
|
|
8FQJ
 | | LSD1-CoREST in complex with T14, short soaking | | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2023-01-06 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To be published
|
|
