3P2S
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![BU of 3p2s by Molmil](/molmil-images/mine/3p2s) | Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in an open conformation | Descriptor: | Fluoroacetyl coenzyme A thioesterase | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | Deposit date: | 2010-10-04 | Release date: | 2010-10-20 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity. Biochemistry, 49, 2010
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3P2R
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![BU of 3p2r by Molmil](/molmil-images/mine/3p2r) | Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in complex with fluoroacetate | Descriptor: | Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | Deposit date: | 2010-10-03 | Release date: | 2010-10-20 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity. Biochemistry, 49, 2010
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5LXQ
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![BU of 5lxq by Molmil](/molmil-images/mine/5lxq) | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1, ... | Authors: | GIMENEZ-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-ORBEA, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M, Martinez-Cruz, L.A. | Deposit date: | 2016-09-22 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.335 Å) | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2. J. Biol. Chem., 292, 2017
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5MMZ
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![BU of 5mmz by Molmil](/molmil-images/mine/5mmz) | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | Descriptor: | Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1 | Authors: | Gimenez-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-Orbea, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M.L, Martinez-Cruz, L.A. | Deposit date: | 2016-12-12 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2. J. Biol. Chem., 292, 2017
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8OK8
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![BU of 8ok8 by Molmil](/molmil-images/mine/8ok8) | Variant Surface Glycoprotein VSG615 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 615, ... | Authors: | Zeelen, J.P, Stebbins, C.E, Chandra, M. | Deposit date: | 2023-03-27 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey. Plos Negl Trop Dis, 17, 2023
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4XGC
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![BU of 4xgc by Molmil](/molmil-images/mine/4xgc) | Crystal structure of the eukaryotic origin recognition complex | Descriptor: | CHLORIDE ION, Origin recognition complex subunit 1, Origin recognition complex subunit 2, ... | Authors: | Bleichert, F, Botchan, M.R, Berger, J.M. | Deposit date: | 2014-12-30 | Release date: | 2015-04-01 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of the eukaryotic origin recognition complex. Nature, 519, 2015
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7T3F
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![BU of 7t3f by Molmil](/molmil-images/mine/7t3f) | Development of BRD4 inhibitors as arsenicals antidotes | Descriptor: | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL | Authors: | Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J. | Deposit date: | 2021-12-07 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals. Bioorg.Med.Chem.Lett., 64, 2022
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8FTQ
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![BU of 8ftq by Molmil](/molmil-images/mine/8ftq) | Crystal structure of hRpn13 Pru domain in complex with Ubiquitin and XL44 | Descriptor: | N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide, Proteasomal ubiquitin receptor ADRM1, Ubiquitin | Authors: | Walters, K.J, Lu, X, Chandravanshi, M. | Deposit date: | 2023-01-13 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based designed small molecule depletes hRpn13 Pru and a select group of KEN box proteins. Nat Commun, 15, 2024
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1AAF
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![BU of 1aaf by Molmil](/molmil-images/mine/1aaf) | NUCLEOCAPSID ZINC FINGERS DETECTED IN RETROVIRUSES: EXAFS STUDIES ON INTACT VIRUSES AND THE SOLUTION-STATE STRUCTURE OF THE NUCLEOCAPSID PROTEIN FROM HIV-1 | Descriptor: | HIV-1 NUCLEOCAPSID PROTEIN, ZINC ION | Authors: | Summers, M.F, Henderson, L.E, Chance, M.R, Bess Junior, J.W, South, T.L, Blake, P.R, Sagi, I, Perez-Alvarado, G, Sowder, R.C, Hare, D.R, Arthur, L.O. | Deposit date: | 1992-04-06 | Release date: | 1994-01-31 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Nucleocapsid zinc fingers detected in retroviruses: EXAFS studies of intact viruses and the solution-state structure of the nucleocapsid protein from HIV-1. Protein Sci., 1, 1992
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1AP4
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![BU of 1ap4 by Molmil](/molmil-images/mine/1ap4) | REGULATORY DOMAIN OF HUMAN CARDIAC TROPONIN C IN THE CALCIUM-SATURATED STATE, NMR, 40 STRUCTURES | Descriptor: | CALCIUM ION, CARDIAC N-TROPONIN C | Authors: | Li, M.X, Spyracopoulos, L, Sia, S.K, Gagne, S.M, Chandra, M, Solaro, R.J, Sykes, B.D. | Deposit date: | 1997-07-24 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Calcium-induced structural transition in the regulatory domain of human cardiac troponin C. Biochemistry, 36, 1997
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6ZS7
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![BU of 6zs7 by Molmil](/molmil-images/mine/6zs7) | Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-cysteine | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase | Authors: | Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2020-07-15 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii . Comput Struct Biotechnol J, 19, 2021
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7N09
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![BU of 7n09 by Molmil](/molmil-images/mine/7n09) | |
6NIE
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![BU of 6nie by Molmil](/molmil-images/mine/6nie) | BesD with Fe(II), chloride, and alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, BesD, lysine halogenase, ... | Authors: | Neugebauer, M.E, Chang, M.C.Y. | Deposit date: | 2018-12-27 | Release date: | 2019-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A family of radical halogenases for the engineering of amino-acid-based products. Nat.Chem.Biol., 15, 2019
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3H5Z
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![BU of 3h5z by Molmil](/molmil-images/mine/3h5z) | Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | Authors: | Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-22 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | N-myristoyltransferase inhibitors as new leads to treat sleeping sickness. Nature, 464, 2010
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7U6F
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![BU of 7u6f by Molmil](/molmil-images/mine/7u6f) | Mouse retromer (VPS26/VPS35/VPS29) heterotrimers | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Kendall, A.K, Chandra, M, Jackson, L.P. | Deposit date: | 2022-03-04 | Release date: | 2022-10-12 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Improved mammalian retromer cryo-EM structures reveal a new assembly interface. J.Biol.Chem., 298, 2022
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3I91
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![BU of 3i91 by Molmil](/molmil-images/mine/3i91) | Crystal structure of human chromobox homolog 8 (CBX8) with H3K9 peptide | Descriptor: | Chromobox protein homolog 8, H3K9 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-10 | Release date: | 2009-09-08 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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3I90
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![BU of 3i90 by Molmil](/molmil-images/mine/3i90) | Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide | Descriptor: | Chromobox protein homolog 6, H3K27 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-10 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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3IWE
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![BU of 3iwe by Molmil](/molmil-images/mine/3iwe) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD85646 | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-02 | Release date: | 2009-09-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD85646 To be Published
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3IU1
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![BU of 3iu1 by Molmil](/molmil-images/mine/3iu1) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-29 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA To be Published
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3JWP
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![BU of 3jwp by Molmil](/molmil-images/mine/3jwp) | Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, TRIETHYLENE GLYCOL, Transcriptional regulatory protein sir2 homologue, ... | Authors: | Wernimont, A.K, Hutchinson, A, Lin, Y.H, MacKenzie, F, Senisterra, G, Allali-Hassanali, A, Vedadi, M, Ravichandran, M, Cossar, D, Kozieradzki, I, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-18 | Release date: | 2009-10-20 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP TO BE PUBLISHED
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3JTK
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![BU of 3jtk by Molmil](/molmil-images/mine/3jtk) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055 | Descriptor: | (2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-12 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055 To be Published
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7JSD
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![BU of 7jsd by Molmil](/molmil-images/mine/7jsd) | Hydroxylase homolog of BesD with Fe(II), alpha-ketoglutarate, and lysine | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LYSINE, ... | Authors: | Kissman, E.N, Neugebauer, M.E, Chang, M.C.Y. | Deposit date: | 2020-08-14 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Reaction pathway engineering converts a radical hydroxylase into a halogenase. Nat.Chem.Biol., 18, 2022
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3K35
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![BU of 3k35 by Molmil](/molmil-images/mine/3k35) | Crystal Structure of Human SIRT6 | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-6, SULFATE ION, ... | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-01 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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5B8D
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![BU of 5b8d by Molmil](/molmil-images/mine/5b8d) | Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | FORMIC ACID, Histone deacetylase 6, SODIUM ION, ... | Authors: | Harding, R.J, Tempel, W, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Ravichandran, M, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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3H91
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![BU of 3h91 by Molmil](/molmil-images/mine/3h91) | Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide | Descriptor: | Chromobox protein homolog 2, H3K27 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-29 | Release date: | 2009-08-18 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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