6B41
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![BU of 6b41 by Molmil](/molmil-images/mine/6b41) | Menin bound to M-525 | Descriptor: | Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2017-09-25 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction. Angew. Chem. Int. Ed. Engl., 57, 2018
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3HPW
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![BU of 3hpw by Molmil](/molmil-images/mine/3hpw) | CcdB dimer in complex with one C-terminal CcdA domain | Descriptor: | Cytotoxic protein ccdB, DI(HYDROXYETHYL)ETHER, Protein ccdA, ... | Authors: | De Jonge, N, Loris, R, Garcia-Pino, A, Buts, L. | Deposit date: | 2009-06-05 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.452 Å) | Cite: | Rejuvenation of CcdB-Poisoned Gyrase by an Intrinsically Disordered Protein Domain. Mol.Cell, 35, 2009
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3M5B
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![BU of 3m5b by Molmil](/molmil-images/mine/3m5b) | |
3M8V
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![BU of 3m8v by Molmil](/molmil-images/mine/3m8v) | |
3NGO
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![BU of 3ngo by Molmil](/molmil-images/mine/3ngo) | Crystal structure of the human CNOT6L nuclease domain in complex with poly(A) DNA | Descriptor: | 5'-D(*AP*AP*AP*A)-3', CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | Deposit date: | 2010-06-12 | Release date: | 2010-07-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity. Embo J., 2010
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3NGN
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![BU of 3ngn by Molmil](/molmil-images/mine/3ngn) | Crystal structure of the human CNOT6L nuclease domain in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CCR4-NOT transcription complex subunit 6-like | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | Deposit date: | 2010-06-12 | Release date: | 2010-07-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity. Embo J., 2010
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3W5K
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![BU of 3w5k by Molmil](/molmil-images/mine/3w5k) | Crystal structure of Snail1 and importin beta complex | Descriptor: | Importin subunit beta-1, ZINC ION, Zinc finger protein SNAI1 | Authors: | Choi, S, Yamashita, E, Yasuhara, N, Song, J, Son, S.Y, Won, Y.H, Shin, Y.S, Sekimoto, T, Park, I.Y, Yoneda, Y, Lee, S.J. | Deposit date: | 2013-01-30 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the selective nuclear import of the C2H2 zinc-finger protein Snail by importin beta. Acta Crystallogr.,Sect.D, 70, 2014
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3P8C
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![BU of 3p8c by Molmil](/molmil-images/mine/3p8c) | Structure and Control of the Actin Regulatory WAVE Complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Abl interactor 2, CHLORIDE ION, ... | Authors: | Chen, Z, Borek, D, Padrick, S.B, Gomez, T.S, Metlagel, Z, Ismail, A.M, Umetani, J, Billadeau, D.D, Otwinowski, Z, Rosen, M.K. | Deposit date: | 2010-10-13 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure and control of the actin regulatory WAVE complex. Nature, 468, 2010
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6DE4
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![BU of 6de4 by Molmil](/molmil-images/mine/6de4) | Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid | Descriptor: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hajian, B, Wright, D. | Deposit date: | 2018-05-11 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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1OC3
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![BU of 1oc3 by Molmil](/molmil-images/mine/1oc3) | HUMAN PEROXIREDOXIN 5 | Descriptor: | BENZOIC ACID, PEROXIREDOXIN 5 | Authors: | Evrard, C, Declercq, J.-P. | Deposit date: | 2003-02-05 | Release date: | 2004-02-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a Dimeric Oxidized Form of Human Peroxiredoxin 5 J.Mol.Biol., 337, 2004
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4KPW
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![BU of 4kpw by Molmil](/molmil-images/mine/4kpw) | |
3CFV
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![BU of 3cfv by Molmil](/molmil-images/mine/3cfv) | Structural basis of the interaction of RbAp46/RbAp48 with histone H4 | Descriptor: | ARSENIC, Histone H4 peptide, Histone-binding protein RBBP7 | Authors: | Pei, X.-Y, Murzina, N.V, Zhang, W, McLaughlin, S, Verreault, A, Luisi, B.F, Laue, E.D. | Deposit date: | 2008-03-04 | Release date: | 2008-06-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for the Recognition of Histone H4 by the Histone-Chaperone RbAp46. Structure, 16, 2008
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6F6Z
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![BU of 6f6z by Molmil](/molmil-images/mine/6f6z) | Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate | Descriptor: | (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase | Authors: | Wilk, P, Jarmula, A, Maj, P, Rode, W. | Deposit date: | 2017-12-06 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies Int J Mol Sci, 22, 2021
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4JEF
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2W96
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![BU of 2w96 by Molmil](/molmil-images/mine/2w96) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-21 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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3BRI
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![BU of 3bri by Molmil](/molmil-images/mine/3bri) | Crystal Structure of apo-LC8 | Descriptor: | ACETATE ION, Dynein light chain 1, cytoplasmic, ... | Authors: | Benison, G, Karplus, P.A, Barbar, E, Chiodo, M. | Deposit date: | 2007-12-21 | Release date: | 2008-12-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Interplay of Ligand Binding and Quaternary Structure in the Diverse Interactions of Dynein Light Chain LC8. J.Mol.Biol., 384, 2008
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2W9F
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![BU of 2w9f by Molmil](/molmil-images/mine/2w9f) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-23 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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2FO1
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![BU of 2fo1 by Molmil](/molmil-images/mine/2fo1) | Crystal Structure of the CSL-Notch-Mastermind ternary complex bound to DNA | Descriptor: | 5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3', 5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3', Lin-12 and glp-1 phenotype protein 1, ... | Authors: | Wilson, J.J, Kovall, R.A. | Deposit date: | 2006-01-12 | Release date: | 2006-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Crystal structure of the CSL-Notch-Mastermind ternary complex bound to DNA. Cell(Cambridge,Mass.), 124, 2006
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2R96
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![BU of 2r96 by Molmil](/molmil-images/mine/2r96) | Crystal structure of E. coli WrbA in complex with FMN | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-09-12 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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2R97
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![BU of 2r97 by Molmil](/molmil-images/mine/2r97) | Crystal structure of E. coli WrbA in complex with FMN | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-09-12 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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2RG3
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![BU of 2rg3 by Molmil](/molmil-images/mine/2rg3) | Covalent complex structure of elastase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Leukocyte elastase | Authors: | Huang, W, Yamamoto, Y. | Deposit date: | 2007-10-02 | Release date: | 2008-07-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray snapshot of the mechanism of inactivation of human neutrophil elastase by 1,2,5-thiadiazolidin-3-one 1,1-dioxide derivatives. J.Med.Chem., 51, 2008
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2RG1
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![BU of 2rg1 by Molmil](/molmil-images/mine/2rg1) | Crystal structure of E. coli WrbA apoprotein | Descriptor: | CHLORIDE ION, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Lapkouski, M, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-10-02 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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4GYH
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1URM
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![BU of 1urm by Molmil](/molmil-images/mine/1urm) | HUMAN PEROXIREDOXIN 5, C47S MUTANT | Descriptor: | BENZOIC ACID, CHLORIDE ION, PEROXIREDOXIN 5 | Authors: | Declercq, J.P, Evrard, C. | Deposit date: | 2003-10-31 | Release date: | 2004-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the C47S Mutant of Human Peroxiredoxin 5 J. Chem. Cryst., 34, 2004
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4FGT
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![BU of 4fgt by Molmil](/molmil-images/mine/4fgt) | Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme. | Descriptor: | CG peptide, SULFATE ION, Thymidylate synthase | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | Deposit date: | 2012-06-04 | Release date: | 2013-03-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides. J.Med.Chem., 58, 2015
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