5NOQ
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![BU of 5noq by Molmil](/molmil-images/mine/5noq) | Structure of cyclophilin A in complex with 3-chloropyridin-2-amine | 分子名称: | 3-chloranylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A | 著者 | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | 登録日 | 2017-04-13 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOS
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![BU of 5nos by Molmil](/molmil-images/mine/5nos) | Structure of cyclophilin A in complex with 3-amino-1H-pyridin-2-one | 分子名称: | 5-azanyl-3~{H}-pyridin-6-one, Peptidyl-prolyl cis-trans isomerase A | 著者 | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | 登録日 | 2017-04-13 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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6XDM
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5NOU
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![BU of 5nou by Molmil](/molmil-images/mine/5nou) | Structure of cyclophilin A in complex with hexahydropyrimidin-2-one | 分子名称: | 1,3-diazinan-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidyl-prolyl cis-trans isomerase A | 著者 | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | 登録日 | 2017-04-13 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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6XJS
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4N1M
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5N7D
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![BU of 5n7d by Molmil](/molmil-images/mine/5n7d) | MAGI-1 complexed with a RSK1 peptide | 分子名称: | CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ... | 著者 | Gogl, G, Nyitray, L. | 登録日 | 2017-02-20 | 公開日 | 2017-11-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Dynamic control of RSK complexes by phosphoswitch-based regulation. FEBS J., 285, 2018
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2X25
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![BU of 2x25 by Molmil](/molmil-images/mine/2x25) | Free acetyl-CypA orthorhombic form | 分子名称: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | 著者 | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | 登録日 | 2010-01-11 | 公開日 | 2010-03-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization. Nat.Chem.Biol., 6, 2010
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5NAF
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4LG9
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![BU of 4lg9 by Molmil](/molmil-images/mine/4lg9) | Crystal structure of TBL1XR1 WD40 repeats | 分子名称: | F-box-like/WD repeat-containing protein TBL1XR1, UNKNOWN ATOM OR ION | 著者 | Xu, C, Tempel, W, He, H, Wu, X, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2013-06-27 | 公開日 | 2014-04-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Crystal structure of TBL1XR1 WD40 repeats TO BE PUBLISHED
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2XAS
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![BU of 2xas by Molmil](/molmil-images/mine/2xas) | Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e) | 分子名称: | 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | 登録日 | 2010-03-31 | 公開日 | 2010-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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6XA1
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2XA6
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![BU of 2xa6 by Molmil](/molmil-images/mine/2xa6) | Structural basis for homodimerization of the Src-associated during mitosis, 68 kD protein (Sam68) Qua1 domain | 分子名称: | KH DOMAIN-CONTAINING,RNA-BINDING,SIGNAL TRANSDUCTION-ASSOCIATED PROTEIN 1 | 著者 | Meyer, N.H, Tripsianes, K, Vincendeaux, M, Madl, T, Kateb, F, Brack-Werner, R, Sattler, M. | 登録日 | 2010-03-29 | 公開日 | 2010-07-07 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for homodimerization of the Src-associated during mitosis, 68-kDa protein (Sam68) Qua1 domain. J. Biol. Chem., 285, 2010
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6XUZ
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![BU of 6xuz by Molmil](/molmil-images/mine/6xuz) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4 | 分子名称: | 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-01-21 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
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6XV3
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![BU of 6xv3 by Molmil](/molmil-images/mine/6xv3) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3 | 分子名称: | 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-01-21 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
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5N6C
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![BU of 5n6c by Molmil](/molmil-images/mine/5n6c) | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with NAD and L-Tartrate | 分子名称: | D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Unterlass, J.E, Basle, A, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | 登録日 | 2017-02-14 | 公開日 | 2017-11-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH). Oncotarget, 8, 2017
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5N7G
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4MD9
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2V5Q
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![BU of 2v5q by Molmil](/molmil-images/mine/2v5q) | CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN | 分子名称: | DESIGN ANKYRIN REPEAT PROTEIN, SERINE/THREONINE-PROTEIN KINASE PLK1 | 著者 | Bandeiras, T.M, Hillig, R.C, Matias, P.M, Eberspaecher, U, Fanghaenel, J, Thomaz, M, Miranda, S, Crusius, K, Puetter, V, Amstutz, P, Gulotti-Georgieva, M, Binz, H.K, Holz, C, Schmitz, A.A.P, Lang, C, Donner, P, Egner, U, Carrondo, M.A, Mueller-Tiemann, B. | 登録日 | 2007-07-08 | 公開日 | 2008-04-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of wild-type Plk-1 kinase domain in complex with a selective DARPin. Acta Crystallogr. D Biol. Crystallogr., 64, 2008
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4MHG
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![BU of 4mhg by Molmil](/molmil-images/mine/4mhg) | Crystal structure of ETV6 bound to a specific DNA sequence | 分子名称: | Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6 | 著者 | Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P. | 登録日 | 2013-08-29 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6. J.Mol.Biol., 426, 2014
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2V1D
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![BU of 2v1d by Molmil](/molmil-images/mine/2v1d) | Structural basis of LSD1-CoREST selectivity in histone H3 recognition | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3.1T, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | Forneris, F, Binda, C, Adamo, A, Battaglioli, E, Mattevi, A. | 登録日 | 2007-05-23 | 公開日 | 2007-05-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural Basis of Lsd1-Corest Selectivity in Histone H3 Recognition. J.Biol.Chem., 282, 2007
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6ZCI
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![BU of 6zci by Molmil](/molmil-images/mine/6zci) | Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | 分子名称: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | 著者 | Faller, M. | 登録日 | 2020-06-11 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.976 Å) | 主引用文献 | BET bromodomain inhibitors regulate keratinocyte plasticity. Nat.Chem.Biol., 17, 2021
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4LNU
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![BU of 4lnu by Molmil](/molmil-images/mine/4lnu) | Nucleotide-free kinesin motor domain in complex with tubulin and a DARPin | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D1, GLYCEROL, ... | 著者 | Cao, L, Gigant, B, Knossow, M. | 登録日 | 2013-07-12 | 公開日 | 2014-12-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | The structure of apo-kinesin bound to tubulin links the nucleotide cycle to movement Nat Commun, 5, 2014
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2V6C
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4KXW
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![BU of 4kxw by Molmil](/molmil-images/mine/4kxw) | Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 2 | 分子名称: | 1,2-ETHANEDIOL, D-XYLITOL-5-PHOSPHATE, MAGNESIUM ION, ... | 著者 | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | 登録日 | 2013-05-28 | 公開日 | 2013-08-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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