6WMK
 
 | | Crystal structure of beta sheet heterodimer LHD29 | | Descriptor: | Beta sheet heterodimer LHD29 - Chain A, Beta sheet heterodimer LHD29 - Chain B | | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2020-04-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
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2XNB
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-08-01 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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1VYJ
 | | Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design | | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN, SMALL PEPTIDE SAVLQKKITDYFHPKK | | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.D. | | Deposit date: | 2004-04-30 | | Release date: | 2005-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
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6R41
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2GAZ
 | | Mycobacterial lipoglycan presentation by CD1d | | Descriptor: | (2R)-3-[(HYDROXY{[(2R,3R,5S,6R)-3,4,5-TRIHYDROXY-2,6-BIS(ALPHA-D-MANNOPYRANOSYLOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]PROPAN E-1,2-DIYL DIHEXADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, T-cell surface glycoprotein CD1d1, ... | | Authors: | Zajonc, D.M. | | Deposit date: | 2006-03-09 | | Release date: | 2006-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural characterization of mycobacterial phosphatidylinositol mannoside binding to mouse CD1d.
J.Immunol., 177, 2006
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4OFZ
 | | Structure of unliganded trehalose-6-phosphate phosphatase from Brugia malayi | | Descriptor: | MAGNESIUM ION, Trehalose-phosphatase | | Authors: | Farelli, J.D, Allen, K.N, Carlow, C.K.S, Dunaway-Mariano, D. | | Deposit date: | 2014-01-15 | | Release date: | 2014-07-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Trehalose-6-phosphate Phosphatase from Brugia malayi Reveals Key Design Principles for Anthelmintic Drugs.
Plos Pathog., 10, 2014
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2XMY
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-07-29 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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3UG5
 | | Crystal structure of alpha-L-arabinofuranosidase from Thermotoga maritima xylose complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase, beta-D-xylopyranose | | Authors: | Im, D.-H, Miyazaki, K, Wakagi, T, Fushinobu, S. | | Deposit date: | 2011-11-02 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Glycoside Hydrolase Family 51 alpha-L-Arabinofuranosidase from Thermotoga maritima
Biosci.Biotechnol.Biochem., 76, 2012
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2XXJ
 | | Penta mutant of lactate dehydrogenase from Thermus thermophilus, ternary complex | | Descriptor: | L-LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | | Authors: | Tickle, J, de Mendoza Barbera, E, Vellieux, F.M.D. | | Deposit date: | 2010-11-10 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.964 Å) | | Cite: | Lactate Dehydrogenase from T. Thermophilus, Penta- Mutant (Ternary Complex)
To be Published
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4FBY
 | | fs X-ray diffraction of Photosystem II | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Alonso-Mori, R, Hellmich, J, Tran, R, Hattne, J, Laksmono, H, Gloeckner, C, Echols, N, Sierra, R.G, Sellberg, J, Lassalle-Kaiser, B, Gildea, R.J, Glatzel, P, Grosse-Kunstleve, R.W, Latimer, M.J, Mcqueen, T.A, Difiore, D, Fry, A.R, Messerschmidt, M.M, Miahnahri, A, Schafer, D.W, Seibert, M.M, Sokaras, D, Weng, T.-C, Zwart, P.H, White, W.E, Adams, P.D, Bogan, M.J, Boutet, S, Williams, G.J, Messinger, J, Sauter, N.K, Zouni, A, Bergmann, U, Yano, J, Yachandra, V.K. | | Deposit date: | 2012-05-23 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (6.56 Å) | | Cite: | Room temperature femtosecond X-ray diffraction of photosystem II microcrystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7MU6
 | | Ask1 bound to compound 28 | | Descriptor: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | | Authors: | Chodaparambil, J.V, Marcotte, D.J. | | Deposit date: | 2021-05-14 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.165 Å) | | Cite: | Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo.
J.Med.Chem., 64, 2021
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1VZK
 | | A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent | | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP *CP*G)-3', MAGNESIUM ION | | Authors: | Mallena, S, Lee, M.P.H, Bailly, C, Neidle, S, Kumar, A, Boykin, D.W, Wilson, W.D. | | Deposit date: | 2004-05-20 | | Release date: | 2004-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent
J.Am.Chem.Soc., 142, 2004
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5L7U
 | | Crystal structure of BvGH123 with bound GalNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, Glycoside hydrolase | | Authors: | Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J. | | Deposit date: | 2016-06-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation.
Chem. Commun. (Camb.), 52, 2016
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7NC7
 | | Crystal structure of fructose-bisphosphate aldolases FBAC from Bacillus methanolicus | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase | | Authors: | Einsle, O, Zhang, L, Guetle, D, Jacquot, J.P. | | Deposit date: | 2021-01-28 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Interrogating the Role of the Two Distinct Fructose-Bisphosphate Aldolases of Bacillus methanolicus by Site-Directed Mutagenesis of Key Amino Acids and Gene Repression by CRISPR Interference
Front Microbiol, 12, 2021
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3L35
 | | PIE12 D-peptide against HIV entry | | Descriptor: | GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
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5KNP
 | | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | | Deposit date: | 2016-06-28 | | Release date: | 2017-09-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate
To Be Published
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4F0A
 | | Crystal structure of XWnt8 in complex with the cysteine-rich domain of Frizzled 8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-8, PALMITOLEIC ACID, ... | | Authors: | Janda, C.Y, Waghray, D, Levin, A.M, Thomas, C, Garcia, K.C. | | Deposit date: | 2012-05-03 | | Release date: | 2012-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural basis of Wnt recognition by Frizzled.
Science, 337, 2012
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5KTI
 | | Structure of cow mincle complexed with KMJ1 | | Descriptor: | 2,3-dimethoxybenzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I. | | Deposit date: | 2016-07-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
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1W4N
 | | AGAO covalent complex with Tranylcypromine | | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | | Authors: | Duff, A.P, Trambaiolo, D.M, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M. | | Deposit date: | 2004-07-27 | | Release date: | 2005-12-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Complexes of the Copper-Containing Amine Oxidase from Arthrobacter Globiformis with the Inhibitors Benzylhydrazine and Tranylcypromine.
Acta Crystallogr.,Sect.F, 64, 2008
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5E54
 | | Two apo structures of the adenine riboswitch aptamer domain determined using an X-ray free electron laser | | Descriptor: | MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain | | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | | Deposit date: | 2015-10-07 | | Release date: | 2016-11-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
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3UKA
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2XWZ
 | | STRUCTURE OF THE RECOMBINANT NATIVE NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite | | Descriptor: | ACETATE ION, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | | Deposit date: | 2010-11-06 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
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1W37
 | | 2-keto-3-deoxygluconate(KDG) aldolase of Sulfolobus solfataricus | | Descriptor: | 2-KETO-3-DEOXY GLUCONATE ALDOLASE, GLYCEROL, SODIUM ION | | Authors: | Theodossis, A, Walden, H, Westwick, E.J, Connaris, H, Lamble, H.J, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2004-07-13 | | Release date: | 2004-09-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural basis for substrate promiscuity in 2-keto-3-deoxygluconate aldolase from the Entner-Doudoroff pathway in Sulfolobus solfataricus.
J. Biol. Chem., 279, 2004
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1W93
 | | Crystal Structure of Biotin Carboxylase Domain of Acetyl-Coenzyme A Carboxylase from Saccharomyces cerevisiae | | Descriptor: | ACETYL-COENZYME A CARBOXYLASE | | Authors: | Shen, Y, Volrath, S.L, Weatherly, S.C, Elich, T.D, Tong, L. | | Deposit date: | 2004-10-05 | | Release date: | 2005-01-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Mechanism for the Potent Inhibition of Eukaryotic Acetyl-Coenzyme a Carboxylase by Soraphen A, a Macrocyclic Polyketide Natural Product
Mol.Cell, 16, 2004
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5KW6
 | | Two Tandem RRM Domains of PUF60 Bound to an AdML Pre-mRNA 3' Splice Site Analogue with a Modified Binding-Site Nucleic Acid Base | | Descriptor: | DNA (30-MER), Poly(U)-binding-splicing factor PUF60 | | Authors: | Crichlow, G.V, Hsiao, H.-H, Albright, R, Lolis, E.J, Braddock, D.T. | | Deposit date: | 2016-07-15 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
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