5HLN
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![BU of 5hln by Molmil](/molmil-images/mine/5hln) | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ... | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-01-15 | Release date: | 2016-05-25 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
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2C2O
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![BU of 2c2o by Molmil](/molmil-images/mine/2c2o) | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-{4-[BENZYL(METHYL) AMINO]-4-OXOBUTANOYL}-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ... | Authors: | Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C. | Deposit date: | 2005-09-29 | Release date: | 2006-09-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10. J.Med.Chem., 49, 2006
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5ZHP
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![BU of 5zhp by Molmil](/molmil-images/mine/5zhp) | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | Deposit date: | 2018-03-13 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2FZ6
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![BU of 2fz6 by Molmil](/molmil-images/mine/2fz6) | Crystal structure of hydrophobin HFBI | Descriptor: | Hydrophobin-1, ZINC ION | Authors: | Hakanpaa, J.M, Rouvinen, J. | Deposit date: | 2006-02-09 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two crystal structures of Trichoderma reesei hydrophobin HFBI--The structure of a protein amphiphile with and without detergent interaction. Protein Sci., 15, 2006
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4J5F
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![BU of 4j5f by Molmil](/molmil-images/mine/4j5f) | Crystal Structure of B. thuringiensis AiiA mutant F107W | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, ZINC ION | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2013-02-08 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis. Biochemistry, 52, 2013
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4MV8
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![BU of 4mv8 by Molmil](/molmil-images/mine/4mv8) | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with AMPPCP and Phosphate | Descriptor: | Biotin carboxylase, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | Deposit date: | 2013-09-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
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2XY6
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![BU of 2xy6 by Molmil](/molmil-images/mine/2xy6) | Crystal structure of a salicylic aldehyde basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', ... | Authors: | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | Deposit date: | 2010-11-15 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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1XOW
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![BU of 1xow by Molmil](/molmil-images/mine/1xow) | Crystal structure of the human androgen receptor ligand binding domain bound with an androgen receptor NH2-terminal peptide, AR20-30, and R1881 | Descriptor: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, androgen receptor, decamer fragment of androgen receptor | Authors: | He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M. | Deposit date: | 2004-10-07 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance Mol.Cell, 16, 2004
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1XPK
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![BU of 1xpk by Molmil](/molmil-images/mine/1xpk) | CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS HMG-COA SYNTHASE WITH HMG-CoA AND WITH ACETOACETYL-COA AND ACETYLATED CYSTEINE | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, ... | Authors: | Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T. | Deposit date: | 2004-10-08 | Release date: | 2004-11-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time" Proc.Natl.Acad.Sci.USA, 47, 2004
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4LLB
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![BU of 4llb by Molmil](/molmil-images/mine/4llb) | Crystal Structure of MOZ double PHD finger histone H3K14ac complex | Descriptor: | Histone H3.1, Histone acetyltransferase KAT6A, ZINC ION | Authors: | Dreveny, I, Deeves, S.E, Yue, B, Heery, D.M. | Deposit date: | 2013-07-09 | Release date: | 2013-10-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The double PHD finger domain of MOZ/MYST3 induces alpha-helical structure of the histone H3 tail to facilitate acetylation and methylation sampling and modification. Nucleic Acids Res., 42, 2014
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4LKA
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![BU of 4lka by Molmil](/molmil-images/mine/4lka) | Crystal Structure of MOZ double PHD finger histone H3K9ac complex | Descriptor: | Histone H3.1, Histone acetyltransferase KAT6A, ZINC ION | Authors: | Dreveny, I, Deeves, S.E, Yue, B, Heery, D.M. | Deposit date: | 2013-07-07 | Release date: | 2013-10-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The double PHD finger domain of MOZ/MYST3 induces alpha-helical structure of the histone H3 tail to facilitate acetylation and methylation sampling and modification. Nucleic Acids Res., 42, 2014
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1VGH
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![BU of 1vgh by Molmil](/molmil-images/mine/1vgh) | HEPARIN-BINDING DOMAIN FROM VASCULAR ENDOTHELIAL GROWTH FACTOR, NMR, 20 STRUCTURES | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR-165 | Authors: | Fairbrother, W.J, Champe, M.A, Christinger, H.W, Keyt, B.A, Starovasnik, M.A. | Deposit date: | 1997-12-17 | Release date: | 1998-04-08 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of the heparin-binding domain of vascular endothelial growth factor. Structure, 6, 1998
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3UH8
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![BU of 3uh8 by Molmil](/molmil-images/mine/3uh8) | N-terminal domain of phage TP901-1 ORF48 | Descriptor: | ORF48 | Authors: | Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C. | Deposit date: | 2011-11-03 | Release date: | 2012-05-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism. Proc.Natl.Acad.Sci.USA, 109, 2012
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4J5H
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![BU of 4j5h by Molmil](/molmil-images/mine/4j5h) | Crystal Structure of B. thuringiensis AiiA mutant F107W with N-decanoyl-L-homoserine bound at the active site | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, N-decanoyl-L-homoserine, ... | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2013-02-08 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis. Biochemistry, 52, 2013
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5HLP
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![BU of 5hlp by Molmil](/molmil-images/mine/5hlp) | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | Descriptor: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-01-15 | Release date: | 2016-05-25 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
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1XQ3
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![BU of 1xq3 by Molmil](/molmil-images/mine/1xq3) | Crystal structure of the human androgen receptor ligand binding domain bound with R1881 | Descriptor: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, androgen receptor | Authors: | He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M. | Deposit date: | 2004-10-11 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance Mol.Cell, 16, 2004
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1XQK
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![BU of 1xqk by Molmil](/molmil-images/mine/1xqk) | Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase | Descriptor: | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Alanine racemase | Authors: | Fenn, T.D, Holyoak, T, Stamper, G.F, Ringe, D. | Deposit date: | 2004-10-12 | Release date: | 2005-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Effect of a Y265F Mutant on the Transamination-Based Cycloserine Inactivation of Alanine Racemase Biochemistry, 44, 2005
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2GLG
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![BU of 2glg by Molmil](/molmil-images/mine/2glg) | NMR structure of the [L23,A24]-sCT mutant | Descriptor: | Calcitonin-1 | Authors: | Andreotti, G, Lopez-Mendez, B, Amodeo, P, Morelli, M.A, Nakamuta, H, Motta, A. | Deposit date: | 2006-04-04 | Release date: | 2006-06-20 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Structural determinants of salmon calcitonin bioactivity: the role of the Leu-based amphipathic alpha-helix. J.Biol.Chem., 281, 2006
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6ALG
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![BU of 6alg by Molmil](/molmil-images/mine/6alg) | |
4MV4
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![BU of 4mv4 by Molmil](/molmil-images/mine/4mv4) | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with AMPPCP and Mg2 | Descriptor: | 1,2-ETHANEDIOL, Biotin carboxylase, CHLORIDE ION, ... | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | Deposit date: | 2013-09-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
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6ALF
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![BU of 6alf by Molmil](/molmil-images/mine/6alf) | CryoEM structure of crosslinked E.coli RNA polymerase elongation complex | Descriptor: | DNA (29-MER), DNA (5'-D(*GP*GP*GP*CP*TP*AP*AP*TP*GP*AP*CP*GP*GP*CP*GP*AP*AP*TP*AP*CP*CP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Kang, J.Y, Darst, S.A. | Deposit date: | 2017-08-07 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of transcription arrest by coliphage HK022 Nun in anEscherichia coliRNA polymerase elongation complex. Elife, 6, 2017
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1XPL
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![BU of 1xpl by Molmil](/molmil-images/mine/1xpl) | Crystal Structure of Staphylococcus aureus HMG-COA Synthase with Acetoacetyl-COA and Acetylated Cysteine | Descriptor: | 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, SULFATE ION | Authors: | Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T. | Deposit date: | 2004-10-08 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time" Proc.Natl.Acad.Sci.USA, 47, 2004
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1XPI
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![BU of 1xpi by Molmil](/molmil-images/mine/1xpi) | |
4LJN
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![BU of 4ljn by Molmil](/molmil-images/mine/4ljn) | Crystal Structure of MOZ double PHD finger | Descriptor: | Histone acetyltransferase KAT6A, ZINC ION | Authors: | Dreveny, I, Deeves, S.E, Yue, B, Heery, D.M. | Deposit date: | 2013-07-05 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The double PHD finger domain of MOZ/MYST3 induces alpha-helical structure of the histone H3 tail to facilitate acetylation and methylation sampling and modification. Nucleic Acids Res., 42, 2014
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1XFL
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![BU of 1xfl by Molmil](/molmil-images/mine/1xfl) | Solution Structure of Thioredoxin h1 from Arabidopsis Thaliana | Descriptor: | Thioredoxin h1 | Authors: | Peterson, F.C, Lytle, B.L, Sampath, S, Vinarov, D, Tyler, E, Shahan, M, Markley, J.L, Volkman, B.F, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-09-15 | Release date: | 2004-09-28 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of thioredoxin h1 from Arabidopsis thaliana. Protein Sci., 14, 2005
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