4RUO
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![BU of 4ruo by Molmil](/molmil-images/mine/4ruo) | Crystal structure of zVDR L337H mutant-gemini complex | Descriptor: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2014-11-21 | Release date: | 2015-10-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects. Cell Rep, 10, 2015
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5DEQ
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![BU of 5deq by Molmil](/molmil-images/mine/5deq) | Crystal structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with L-arabinose | Descriptor: | FORMIC ACID, SULFATE ION, TRANSCRIPTIONAL REGULATOR AraR, ... | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-08-25 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria. Nucleic Acids Res., 43, 2015
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4RUP
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![BU of 4rup by Molmil](/molmil-images/mine/4rup) | Crystal structure of zVDR L337H mutant-Gemini72 complex | Descriptor: | (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2014-11-21 | Release date: | 2015-10-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects. Cell Rep, 10, 2015
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2FVD
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![BU of 2fvd by Molmil](/molmil-images/mine/2fvd) | Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor | Descriptor: | (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE, Cell division protein kinase 2 | Authors: | Crowther, R.L, Lukacs, C.M, Kammlott, R.U. | Deposit date: | 2006-01-30 | Release date: | 2006-10-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity. J.Med.Chem., 49, 2006
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4S31
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![BU of 4s31 by Molmil](/molmil-images/mine/4s31) | |
8SGB
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![BU of 8sgb by Molmil](/molmil-images/mine/8sgb) | |
8B3Z
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![BU of 8b3z by Molmil](/molmil-images/mine/8b3z) | |
4S33
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![BU of 4s33 by Molmil](/molmil-images/mine/4s33) | ERK2 R65S mutant complexed with AMP-PNP | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Livnah, O, Karamansha, Y, Tzarum, N. | Deposit date: | 2015-01-26 | Release date: | 2016-01-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Multiple mechanisms render Erk proteins MEK-independent To be Published
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8PO6
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![BU of 8po6 by Molmil](/molmil-images/mine/8po6) | Structure of Escherichia coli HrpA apo form | Descriptor: | ATP-dependent RNA helicase HrpA, PHOSPHATE ION | Authors: | Xin, B.G, Yuan, L.G, Zhang, L.L, Xie, S.M, Liu, N.N, Ai, X, Li, H.H, Rety, S, Xi, X.G. | Deposit date: | 2023-07-03 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural insights into the N-terminal APHB domain of HrpA: mediating canonical and i-motif recognition. Nucleic Acids Res., 52, 2024
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8EU9
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![BU of 8eu9 by Molmil](/molmil-images/mine/8eu9) | Class1 of the INO80-Nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-18 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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6E24
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![BU of 6e24 by Molmil](/molmil-images/mine/6e24) | Ternary structure of c-Myc-TBP-TAF1 | Descriptor: | Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein | Authors: | Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-07-10 | Release date: | 2019-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Multiple direct interactions of TBP with the MYC oncoprotein. Nat.Struct.Mol.Biol., 26, 2019
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3QKX
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8CYI
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![BU of 8cyi by Molmil](/molmil-images/mine/8cyi) | Cryo-EM structures and computational analysis for enhanced potency in MTA-synergic inhibition of human protein arginine methyltransferase 5 | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide, ... | Authors: | Yadav, G.P, Wei, Z, Xiaozhi, Y, Chenglong, L, Jiang, Q. | Deposit date: | 2022-05-23 | Release date: | 2023-04-12 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency. Commun Biol, 5, 2022
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2N8G
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![BU of 2n8g by Molmil](/molmil-images/mine/2n8g) | NMR Structure of the homeodomain transcription factor Gbx1[E23R,R58E] from Homo sapiens | Descriptor: | Homeobox protein GBX-1 | Authors: | Proudfoot, A.K, Serrano, P, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | Deposit date: | 2015-10-15 | Release date: | 2015-10-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure of the homeodomain transcription factor Gbx1[E23R,R58E] from Homo sapiens To be Published
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2G9X
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2CBQ
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![BU of 2cbq by Molmil](/molmil-images/mine/2cbq) | Crystal structure of the neocarzinostatin 1Tes15 mutant bound to testosterone hemisuccinate. | Descriptor: | NEOCARZINOSTATIN, SULFATE ION, TESTOSTERONE HEMISUCCINATE | Authors: | Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P. | Deposit date: | 2006-01-06 | Release date: | 2006-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways. J.Mol.Biol., 358, 2006
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2ZFN
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2EXM
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![BU of 2exm by Molmil](/molmil-images/mine/2exm) | Human CDK2 in complex with isopentenyladenine | Descriptor: | Cell division protein kinase 2, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE | Authors: | Schulze-Gahmen, U. | Deposit date: | 2005-11-08 | Release date: | 2005-12-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multiple modes of ligand recognition: crystal structures of cyclin-dependent protein kinase 2 in complex with ATP and two inhibitors, olomoucine and isopentenyladenine. Proteins, 22, 1995
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2DS1
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![BU of 2ds1 by Molmil](/molmil-images/mine/2ds1) | Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor | Descriptor: | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25 ),18,20-HEPTAENE-23,26-DIONE, Cell division protein kinase 2 | Authors: | Ikuta, M. | Deposit date: | 2006-06-17 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure Bioorg.Med.Chem.Lett., 16, 2006
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2NZV
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![BU of 2nzv by Molmil](/molmil-images/mine/2nzv) | Structural mechanism for the fine-tuning of CcpA function by the small molecule effectors G6P and FBP | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Catabolite control protein, Phosphocarrier protein HPr, ... | Authors: | Schumacher, M.A, Hillen, W, Brennan, R.G. | Deposit date: | 2006-11-25 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Mechanism for the Fine-tuning of CcpA Function by The Small Molecule Effectors Glucose 6-Phosphate and Fructose 1,6-Bisphosphate. J.Mol.Biol., 368, 2007
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2DUV
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![BU of 2duv by Molmil](/molmil-images/mine/2duv) | Structure of CDK2 with a 3-hydroxychromones | Descriptor: | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE, Cell division protein kinase 2 | Authors: | Kim, K.H, Lee, J, Park, T, Jeong, S, Hong, C. | Deposit date: | 2006-07-27 | Release date: | 2007-01-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 3-Hydroxychromones as cyclin-dependent kinase inhibitors: synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 17, 2007
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2NZU
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![BU of 2nzu by Molmil](/molmil-images/mine/2nzu) | Structural mechanism for the fine-tuning of CcpA function by the small molecule effectors G6P and FBP | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, Catabolite control protein, Phosphocarrier protein HPr, ... | Authors: | Schumacher, M.A, Hillen, W, Brennan, R.G. | Deposit date: | 2006-11-25 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Mechanism for the Fine-tuning of CcpA Function by The Small Molecule Effectors Glucose 6-Phosphate and Fructose 1,6-Bisphosphate. J.Mol.Biol., 368, 2007
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2I40
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![BU of 2i40 by Molmil](/molmil-images/mine/2i40) | Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor | Descriptor: | 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE, Cell division protein kinase 2, Cyclin-A2 | Authors: | Shewchuk, L.M. | Deposit date: | 2006-08-21 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase Bioorg.Med.Chem.Lett., 16, 2006
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7OAC
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![BU of 7oac by Molmil](/molmil-images/mine/7oac) | conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form I | Descriptor: | General control transcription factor GCN4,conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A,General control transcription factor GCN4 | Authors: | Adlakha, J, Albrecht, R, Hartmann, M.D. | Deposit date: | 2021-04-19 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form I To Be Published
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7O9V
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