6G21
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![BU of 6g21 by Molmil](/molmil-images/mine/6g21) | Crystal structure of an esterase from Aspergillus oryzae | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | Authors: | Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S. | Deposit date: | 2018-03-22 | Release date: | 2018-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an esterase from Aspergillus oryzae To Be Published
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4APJ
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![BU of 4apj by Molmil](/molmil-images/mine/4apj) | Human angiotensin-converting enzyme in complex with BPPb | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Masuyer, G, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2012-04-03 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Recognition and Regulation of Human Angiotensin-I Converting Enzyme (Ace) Activity by Natural Inhibitory Peptides. Sci.Rep., 2, 2012
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6ITU
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![BU of 6itu by Molmil](/molmil-images/mine/6itu) | Crystal Structure of the GULP1 PTB domain-APP peptide complex | Descriptor: | 1,2-ETHANEDIOL, Amyloid beta A4 protein, PTB domain-containing engulfment adapter protein 1, ... | Authors: | Yung, K.W.Y, Lau, K.F, Ngo, J.C.K. | Deposit date: | 2018-11-26 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Attenuation of amyloid-beta generation by atypical protein kinase C-mediated phosphorylation of engulfment adaptor PTB domain containing 1 threonine 35. Faseb J., 33, 2019
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8E51
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![BU of 8e51 by Molmil](/molmil-images/mine/8e51) | Crystal Structure of Iridescent Shark Catfish Cadherin-23 EC1-2 and Protocadherin-15 EC1-2 | Descriptor: | CALCIUM ION, Cadherin-23, POTASSIUM ION, ... | Authors: | Scheib, E, Nisler, C.R, Sotomayor, M. | Deposit date: | 2022-08-19 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | Interpreting the Evolutionary Echoes of a Protein Complex Essential for Inner-Ear Mechanosensation. Mol.Biol.Evol., 40, 2023
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408D
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![BU of 408d by Molmil](/molmil-images/mine/408d) | STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), IMIDAZOLE-PYRROLE POLYAMIDE | Authors: | Kielkopf, C.L, White, S, Szewczyk, J.W, Turner, J.M, Baird, E.E, Dervan, P.B, Rees, D.C. | Deposit date: | 1998-06-24 | Release date: | 1998-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA. Science, 282, 1998
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2GCH
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![BU of 2gch by Molmil](/molmil-images/mine/2gch) | |
5C7E
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![BU of 5c7e by Molmil](/molmil-images/mine/5c7e) | Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal domain (1-209) in complex with Arabidopsis IAA10 peptide | Descriptor: | ASPR2 protein, Auxin-responsive protein IAA10, ZINC ION | Authors: | Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | Deposit date: | 2015-06-24 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors. Sci Adv, 1, 2015
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2B7A
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![BU of 2b7a by Molmil](/molmil-images/mine/2b7a) | The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase JAK2 | Authors: | Lucet, I.S, Fantino, E, Styles, M, Bamert, R, Patel, O, Broughton, S.E, Walter, M, Burns, C.J, Treutlein, H, Wilks, A.F, Rossjohn, J. | Deposit date: | 2005-10-04 | Release date: | 2006-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis of Janus kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor. Blood, 107, 2006
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5CGN
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![BU of 5cgn by Molmil](/molmil-images/mine/5cgn) | Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8 | Descriptor: | CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin | Authors: | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | Deposit date: | 2015-07-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif. J.Am.Chem.Soc., 137, 2015
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2H53
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![BU of 2h53 by Molmil](/molmil-images/mine/2h53) | Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein Hsp26 | Descriptor: | small heat shock protein Hsp26 | Authors: | White, H.E, Orlova, E.V, Chen, S, Wang, L, Ignatiou, A, Gowen, B, Stromer, T, Franzmann, T.M, Haslbeck, M, Buchner, J, Saibil, H.R. | Deposit date: | 2006-05-25 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (11.5 Å) | Cite: | Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein hsp26 Structure, 14, 2006
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1KUX
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![BU of 1kux by Molmil](/molmil-images/mine/1kux) | X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition | Descriptor: | COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE, Serotonin N-acetyltransferase | Authors: | Wolf, E, De Angelis, J, Khalil, E.M, Cole, P.A, Burley, S.K. | Deposit date: | 2002-01-22 | Release date: | 2002-03-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic studies of serotonin N-acetyltransferase catalysis and inhibition. J.Mol.Biol., 317, 2002
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6UGK
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![BU of 6ugk by Molmil](/molmil-images/mine/6ugk) | |
8C84
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![BU of 8c84 by Molmil](/molmil-images/mine/8c84) | Crystal structure of MADS-box/MEF2D N-terminal domain complex | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2D protein | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-01-18 | Release date: | 2024-01-31 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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4RMA
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![BU of 4rma by Molmil](/molmil-images/mine/4rma) | Crystal structure of the FERM domain of human ezrin | Descriptor: | Ezrin, SULFATE ION | Authors: | Phang, J.M, Harrop, S.J, Duff, A.P, Wilk, K.E, Curmi, P.M.G. | Deposit date: | 2014-10-21 | Release date: | 2015-12-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin. Biochem. J., 473, 2016
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6UMA
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![BU of 6uma by Molmil](/molmil-images/mine/6uma) | |
6UMB
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2AQS
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![BU of 2aqs by Molmil](/molmil-images/mine/2aqs) | CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant | Descriptor: | COPPER (I) ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ... | Authors: | DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D. | Deposit date: | 2005-08-18 | Release date: | 2006-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant To be Published
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6E09
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![BU of 6e09 by Molmil](/molmil-images/mine/6e09) | |
4AA1
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![BU of 4aa1 by Molmil](/molmil-images/mine/4aa1) | Crystal structure of ANCE in complex with Angiotensin-II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-2, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Isaac, R.E, Akif, M, Schwager, S.L.U, Masuyer, G, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2011-11-30 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis of Peptide Recognition by the Angiotensin-I Converting Enzyme Homologue Ance from Drosophila Melanogaster FEBS J., 279, 2012
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4TTH
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![BU of 4tth by Molmil](/molmil-images/mine/4tth) | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | Descriptor: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | Authors: | Piper, D.E, Walker, N, Wang, Z. | Deposit date: | 2014-06-20 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3. J.Med.Chem., 57, 2014
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4AYE
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![BU of 4aye by Molmil](/molmil-images/mine/4aye) | Structure of a complex between CCPs 6 and 7 of Human Complement Factor H and Neisseria meningitidis FHbp Variant 1 E283AE304A mutant | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN | Authors: | Johnson, S, Tan, L, van der Veen, S, Caesar, J, Goicoechea De Jorge, E, Everett, R.J, Bai, X, Exley, R.M, Ward, P.N, Ruivo, N, Trivedi, K, Cumber, E, Jones, R, Newham, L, Staunton, D, Borrow, R, Pickering, M, Lea, S.M, Tang, C.M. | Deposit date: | 2012-06-20 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules. Plos Pathog., 8, 2012
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4BFQ
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![BU of 4bfq by Molmil](/molmil-images/mine/4bfq) | Assembly of a triple pi-stack of ligands in the binding site of Aplysia californica acetylcholine binding protein (AChBP) | Descriptor: | 4,6-dimethyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide, GLYCEROL, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Stornaiuolo, M, De Kloe, G.E, Rucktooa, P, Fish, A, van Elk, R, Edink, E.S, Bertrand, D, Smit, A.B, de Esch, I.J.P, Sixma, T.K. | Deposit date: | 2013-03-21 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Assembly of a Pi-Pi Stack of Ligands in the Binding Site of an Acetylcholine Binding Protein Nat.Commun., 4, 2013
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4N1B
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![BU of 4n1b by Molmil](/molmil-images/mine/4n1b) | STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S. | Deposit date: | 2013-10-03 | Release date: | 2014-02-19 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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7SO2
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![BU of 7so2 by Molmil](/molmil-images/mine/7so2) | Crystal Structure of HIV-1 Reverse Transcriptase Y181C Variant in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) | Descriptor: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Frey, K.M, Anderson, K.S. | Deposit date: | 2021-10-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
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6E4F
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![BU of 6e4f by Molmil](/molmil-images/mine/6e4f) | Crystal structure of ARQ 531 in complex with the kinase domain of BTK | Descriptor: | 1,2-ETHANEDIOL, 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol, IMIDAZOLE, ... | Authors: | Eathiraj, S. | Deposit date: | 2018-07-17 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The BTK Inhibitor ARQ 531 Targets Ibrutinib-Resistant CLL and Richter Transformation. Cancer Discov, 8, 2018
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