6F24
 
 | | PH domain from PfAPH | | Descriptor: | C-terminal PH domain from PfAPH | | Authors: | Darvill, N, Liu, B, Matthews, S, Soldati-Favre, D, Rouse, S, Benjamin, S, Blake, T, Dubois, D.J, Hammoudi, P.M, Pino, P. | | Deposit date: | 2017-11-23 | | Release date: | 2018-12-12 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | C-terminal PH domain from P. falciparum acylated plekstrin homology domain containing protein (APH)
To Be Published
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6SJV
 | | Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif | | Descriptor: | Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | | Deposit date: | 2019-08-14 | | Release date: | 2019-09-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.029 Å) | | Cite: | Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
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1AXG
 | | CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION | | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | | Authors: | Colby, T.D, Chin, J.K, Bahnson, B.J, Goldstein, B.M, Klinman, J.P. | | Deposit date: | 1997-10-15 | | Release date: | 1998-04-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
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6F7H
 | | Crystal structure of human AQP10 | | Descriptor: | Aquaporin-10, GLYCEROL, nonyl beta-D-glucopyranoside | | Authors: | Gotfryd, K, Wang, K, Missel, J.W, Pedersen, P.A, Gourdon, P. | | Deposit date: | 2017-12-08 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Human adipose glycerol flux is regulated by a pH gate in AQP10.
Nat Commun, 9, 2018
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6EYJ
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV354 | | Descriptor: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | E-selectin lectin with different glycomimetic ligands
To Be Published
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5AJY
 | | Human PFKFB3 in complex with an indole inhibitor 4 | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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7PR4
 | | Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster | | Descriptor: | Cytochrome c iso-1, HEME C, PHOSPHATE ION, ... | | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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4Y30
 | | Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and EPZ020411 | | Descriptor: | GLYCEROL, MAGNESIUM ION, N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine, ... | | Authors: | Swinger, K.K, Boriack-Sjodin, P.A. | | Deposit date: | 2015-02-10 | | Release date: | 2015-04-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
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6J7W
 | | Crystal Structure of Human BCMA in complex with UniAb(TM) VH | | Descriptor: | Tumor necrosis factor receptor superfamily member 17, UniAb | | Authors: | Clarke, S.C, Ma, B, Trinklein, N.D, Schellenberger, U, Osborn, M, Ouisse, L, Boudreau, A, Davison, L, Harris, K.E, Ugamraj, H, Balasubramani, A, Dang, K, Jorgensen, B, Ogana, H, Pham, D, Pratap, P, Sankaran, P, Anegon, I, van Schooten, W, Bruggemann, M, Buelow, R, Force Aldred, S. | | Deposit date: | 2019-01-18 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Multispecific Antibody Development Platform Based on Human Heavy Chain Antibodies
Front Immunol, 9, 2018
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7ZYI
 | | Structure of the human sodium/bile acid cotransporter (NTCP) in complex with Fab and nanobody | | Descriptor: | CHOLESTEROL, GLYCOCHENODEOXYCHOLIC ACID, Nanobody, ... | | Authors: | Liu, H, Irobalieva, R.N, Bang-Sorensen, R, Nosol, K, Mukherjee, S, Agrawal, P, Stieger, B, Kossiakoff, A.A, Locher, K.P. | | Deposit date: | 2022-05-24 | | Release date: | 2022-07-13 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structure of human NTCP reveals the basis of recognition and sodium-driven transport of bile salts into the liver.
Cell Res., 32, 2022
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5FZH
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-14 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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8UKY
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7N9D
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1B7J
 | | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 V20A | | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | | Deposit date: | 1999-01-24 | | Release date: | 1999-04-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
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8P5K
 | | Kinase domain of mutant human ULK1 in complex with compound MRT68921 | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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5IPK
 | | Structure of the R432A variant of Adeno-associated virus type 2 VLP | | Descriptor: | Capsid protein VP1 | | Authors: | Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M. | | Deposit date: | 2016-03-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
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5FAN
 | | Crystal structure of PvHCT in complex with p-coumaroyl-CoA and protocatechuate | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase 2, p-coumaroyl-CoA | | Authors: | Pereira, J.H, Moriarty, N.W, Eudes, A, Yogiswara, S, Wang, G, Benites, V.T, Baidoo, E.E.K, Lee, T.S, Keasling, J.D, Loque, D, Adams, P.D. | | Deposit date: | 2015-12-11 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Exploiting the Substrate Promiscuity of Hydroxycinnamoyl-CoA:Shikimate Hydroxycinnamoyl Transferase to Reduce Lignin.
Plant Cell.Physiol., 57, 2016
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6J93
 | | Crystal structure of Peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.95 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Peptidyl-tRNA hydrolase | | Authors: | Viswanathan, V, Sharma, P, Singh, P.K, Iqbal, N, Sharma, S, Singh, T.P. | | Deposit date: | 2019-01-21 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal structure of Peptidyl-tRNA hydrolase form apo at 0.95 A resolution.
To Be Published
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5IGN
 | | Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe | | Descriptor: | Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide | | Authors: | Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-28 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
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2W08
 | | The structure of serum amyloid P component bound to 0-phospho- threonine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHOTHREONINE, ... | | Authors: | Kolstoe, S.E, Pepys, M.B, Wood, S.P. | | Deposit date: | 2008-08-12 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Dissection of Alzheimer'S Disease Neuropathology by Depletion of Serum Amyloid P Component.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6EZ2
 | | Human butyrylcholinesterase carbamylated. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P. | | Deposit date: | 2017-11-14 | | Release date: | 2018-12-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Commun Chem, 2019
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5MHP
 | | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | | Descriptor: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | | Deposit date: | 2016-11-25 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
J. Med. Chem., 60, 2017
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5IEY
 | | Crystal structure of a CDK inhibitor bound to CDK2 | | Descriptor: | 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide, Cyclin-dependent kinase 2 | | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | | Deposit date: | 2016-02-25 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
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6EZM
 | | Imidazoleglycerol-phosphate dehydratase from Saccharomyces cerevisiae | | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | | Authors: | Rawson, S, Bisson, C, Hurdiss, D.L, Muench, S.P. | | Deposit date: | 2017-11-15 | | Release date: | 2018-02-07 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Elucidating the structural basis for differing enzyme inhibitor potency by cryo-EM.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5G0H
 | | Crystal structure of Danio rerio HDAC6 CD2 in complex with (S)- trichostatin A | | Descriptor: | 1,2-ETHANEDIOL, HDAC6, POTASSIUM ION, ... | | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
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