5SFI
 
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(nc(nc1CCc2nn3c(n2)c(ncc3C)C)N4[C@H](CCC4)C)C, micromolar IC50=0.028433 | | Descriptor: | (4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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1G2R
 | | Structure of Cytosolic Protein of Unknown Function Coded by Gene from NUSA/INFB Region, a YlxR Homologue | | Descriptor: | HYPOTHETICAL CYTOSOLIC PROTEIN, SULFATE ION | | Authors: | Osipiuk, J, Gornicki, P, Maj, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2000-10-20 | | Release date: | 2001-08-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Streptococcus pneumonia YlxR at 1.35 A shows a putative new fold.
Acta Crystallogr.,Sect.D, 57, 2001
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4E3H
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7Q4E
 | | Local refinement structure of a single N-domain of full-length, dimeric, soluble somatic angiotensin I-converting enzyme | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lubbe, L, Sewell, B.T, Sturrock, E.D. | | Deposit date: | 2021-10-30 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
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2RL7
 | | Crystal Structure cation-dependent mannose 6-phosphate receptor at pH 4.8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CACODYLATE ION, ... | | Authors: | Olson, L.J, Hindsgaul, O, Kim, J.-J.P, Dahms, N.M. | | Deposit date: | 2007-10-18 | | Release date: | 2008-02-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into the Mechanism of pH-dependent Ligand Binding and Release by the Cation-dependent Mannose 6-Phosphate Receptor.
J.Biol.Chem., 283, 2008
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3CWZ
 | | Structure of RAB6(GTP)-R6IP1 complex | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rab6-interacting protein 1, ... | | Authors: | Recacha, R, Houdusse, A, Goud, B, Khan, A.R. | | Deposit date: | 2008-04-23 | | Release date: | 2008-11-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for recruitment of Rab6-interacting protein 1 to Golgi via a RUN domain.
Structure, 17, 2009
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1FU0
 | | CRYSTAL STRUCTURE ANALYSIS OF THE PHOSPHO-SERINE 46 HPR FROM ENTEROCOCCUS FAECALIS | | Descriptor: | PHOSPHOCARRIER PROTEIN HPR | | Authors: | Audette, G.F, Engelmann, R, Hengstenberg, W, Deutscher, J, Hayakawa, K, Quail, J.W, Delbaere, L.T.J. | | Deposit date: | 2000-09-13 | | Release date: | 2000-11-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.9 A resolution structure of phospho-serine 46 HPr from Enterococcus faecalis.
J.Mol.Biol., 303, 2000
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5SHT
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(n1nc(nc1c(c2C)Cl)CCc3nc(nn3C)N4CCCC4)C, micromolar IC50=0.00941 | | Descriptor: | (4S)-8-chloro-5,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5OWQ
 | | Human STK10 bound to dovitinib | | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Serine/threonine-protein kinase 10 | | Authors: | Szklarz, M, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | Deposit date: | 2017-09-04 | | Release date: | 2017-09-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human STK10 bound to dovitinib
To Be Published
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4I4R
 | | BEL beta-trefoil apo crystal form 4 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BEL-beta trefoil | | Authors: | Bovi, M, Cenci, L, Perduca, M, Capaldi, S, Carrizo, M.E, Civiero, L, Chiarelli, L.R, Galliano, M, Monaco, H.L. | | Deposit date: | 2012-11-28 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Glycobiology, 23, 2013
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3P47
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2CWQ
 | | Crystal structure of conserved protein TTHA0727 from Thermus thermophilus HB8 | | Descriptor: | hypothetical protein TTHA0727 | | Authors: | Ito, K, Arai, R, Fusatomi, E, Kamo-Uchikubo, T, Kawaguchi, S, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-06-23 | | Release date: | 2005-12-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the conserved protein TTHA0727 from Thermus thermophilus HB8 at 1.9 A resolution: A CMD family member distinct from carboxymuconolactone decarboxylase (CMD) and AhpD
Protein Sci., 15, 2006
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3D92
 | | Human carbonic anhydrase II bound with substrate carbon dioxide | | Descriptor: | CARBON DIOXIDE, GLYCEROL, ZINC ION, ... | | Authors: | Domsic, J.F, Avvaru, B.S, McKenna, R. | | Deposit date: | 2008-05-26 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Entrapment of carbon dioxide in the active site of carbonic anhydrase II
J.Biol.Chem., 283, 2008
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1SV3
 | | Structure of the complex formed between Phospholipase A2 and 4-methoxybenzoic acid at 1.3A resolution. | | Descriptor: | 4-METHOXYBENZOIC ACID, Phospholipase A2, SULFATE ION | | Authors: | Singh, N, Prahathees, E, Jabeen, T, Pal, A, Ethayathulla, A.S, Prem kumar, R, Sharma, S, Singh, T.P. | | Deposit date: | 2004-03-27 | | Release date: | 2004-04-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structures of the complexes of a group IIA phospholipase A2 with two natural anti-inflammatory agents, anisic acid, and atropine reveal a similar mode of binding
Proteins, 64, 2006
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5GMZ
 | | Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | | Descriptor: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
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4BKX
 | | The structure of HDAC1 in complex with the dimeric ELM2-SANT domain of MTA1 from the NuRD complex | | Descriptor: | ACETATE ION, HISTONE DEACETYLASE 1, METASTASIS-ASSOCIATED PROTEIN MTA1, ... | | Authors: | Millard, C.J, Watson, P.J, Celardo, I, Gordiyenko, Y, Cowley, S.M, Robinson, C.V, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2013-04-30 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Class I Hdacs Share a Common Mechanism of Regulation by Inositol Phosphates.
Mol.Cell, 51, 2013
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1GC0
 | | CRYSTAL STRUCTURE OF THE PYRIDOXAL-5'-PHOSPHATE DEPENDENT L-METHIONINE GAMMA-LYASE FROM PSEUDOMONAS PUTIDA | | Descriptor: | METHIONINE GAMMA-LYASE | | Authors: | Motoshima, H, Inagaki, K, Kumasaka, T, Furuichi, M, Inoue, H, Tamura, T, Esaki, N, Soda, K, Tanaka, N, Yamamoto, M, Tanaka, H. | | Deposit date: | 2000-07-06 | | Release date: | 2002-05-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the pyridoxal 5'-phosphate dependent L-methionine gamma-lyase from Pseudomonas putida.
J.Biochem., 128, 2000
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4XXH
 | | TREHALOSE REPRESSOR FROM ESCHERICHIA COLI | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, HTH-type transcriptional regulator TreR | | Authors: | Hars, U, Horlacher, R, Boos, W, Smart, O.S, Bricogne, G, Welte, W, Diederichs, K. | | Deposit date: | 2015-01-30 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF THE TREHALOSE-REPRESSOR OF ESCHERICHIA COLI, A MEMBER OF THE LACI FAMILY, IN ITS COMPLEXES WITH INDUCER TREHALOSE-6-PHOSPHATE AND NONINDUCER TREHALOSE.
PROTEIN SCI., 7, 1998
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3TKA
 | | crystal structure and solution saxs of methyltransferase rsmh from E.coli | | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, Ribosomal RNA small subunit methyltransferase H, S-ADENOSYLMETHIONINE, ... | | Authors: | Gao, Z.Q, Wei, Y, Zhang, H, Dong, Y.H. | | Deposit date: | 2011-08-25 | | Release date: | 2012-05-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal and solution structures of methyltransferase RsmH provide basis for methylation of C1402 in 16S rRNA.
J.Struct.Biol., 179, 2012
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5PBH
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 2) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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1GDI
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5PBU
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 15) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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9IIS
 | | GDP-fucose pyrophosphorylase part of FKP with a SUMO tag | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Ubiquitin-like protein SMT3,L-fucokinase/L-fucose-1-P guanylyltransferase | | Authors: | Ko, T.P, Lin, S.W, Hsu, M.F, Lin, C.H. | | Deposit date: | 2024-06-21 | | Release date: | 2025-03-05 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural insight into the catalytic mechanism of the bifunctional enzyme l-fucokinase/GDP-fucose pyrophosphorylase.
J.Biol.Chem., 301, 2025
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4BFW
 | | Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1e) and phosphate | | Descriptor: | N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide, PANTOTHENATE KINASE, PHOSPHATE ION | | Authors: | Bjorkelid, C, Bergfors, T, Jones, T.A. | | Deposit date: | 2013-03-22 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank
J.Biol.Chem., 288, 2013
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5PC8
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 29) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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