4FPE
 
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7QPM
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-05 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QPV
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-05 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QPF
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-04 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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4FBL
 | | LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | | Descriptor: | CHLORIDE ION, LipS lipolytic enzyme, SPERMIDINE | | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovacic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2012-05-23 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases.
Plos One, 7, 2012
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7QPQ
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-05 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QQ4
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-06 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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1MMI
 | | E. COLI DNA POLYMERASE BETA SUBUNIT | | Descriptor: | DNA polymerase III, beta chain | | Authors: | Oakley, A.J, Prosselkov, P, Wijffels, G, Beck, J.L, Wilce, M.C.J, Dixon, N.E. | | Deposit date: | 2002-09-04 | | Release date: | 2003-09-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Flexibility revealed by the 1.85 A crystal structure of the beta sliding-clamp subunit of Escherichia coli DNA polymerase III.
Acta Crystallogr.,Sect.D, 59, 2003
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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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1MEN
 | | complex structure of human GAR Tfase and substrate beta-GAR | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, Phosphoribosylglycinamide formyltransferase | | Authors: | Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A. | | Deposit date: | 2002-08-08 | | Release date: | 2002-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
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4F8K
 | | Molecular analysis of the interaction between the prostacyclin receptor and the first PDZ domain of PDZK1 | | Descriptor: | Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Prostacyclin receptor | | Authors: | Kocher, O, Birrane, G, Kinsella, B.T, Mulvaney, E.P. | | Deposit date: | 2012-05-17 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Analysis of the Prostacyclin Receptor's Interaction with the PDZ1 Domain of Its Adaptor Protein PDZK1.
Plos One, 8, 2013
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3HFN
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4FKD
 | | Identification of the Activator Binding Residues in the Second Cysteine-Rich Regulatory Domain of Protein Kinase C Theta | | Descriptor: | Protein kinase C theta type, ZINC ION | | Authors: | Rahman, G.M, Shanker, S, Lewin, N.E, Prasad, B.V.V, Blumberg, P.M, Das, J. | | Deposit date: | 2012-06-13 | | Release date: | 2013-01-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.633 Å) | | Cite: | Identification of the Activator Binding Residues in the Second Cysteine-Rich Regulatory Domain of Protein Kinase C Theta.
Biochem.J., 451, 2013
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4FLQ
 | | Crystal structure of Amylosucrase double mutant A289P-F290I from Neisseria polysaccharea. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ... | | Authors: | Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S. | | Deposit date: | 2012-06-15 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
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3UQH
 | | Crystal structure of aba receptor pyl10 (apo) | | Descriptor: | Abscisic acid receptor PYL10, SULFATE ION | | Authors: | Sun, D.M, Wang, H.P, Wu, M.H, Zang, J.Y, Tian, C.L. | | Deposit date: | 2011-11-20 | | Release date: | 2011-12-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of Aba Receptor Pyl10
To be Published
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7QFV
 | | Crystal structure of KLK6 in complex with compound 17a | | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6 | | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | | Deposit date: | 2021-12-06 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
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7QFT
 | | Crystal structure of KLK6 in complex with compound 16a | | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6 | | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | | Deposit date: | 2021-12-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
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7RCA
 | | Crystal structure of Aro2p chorismate synthase from Candida lusitaniae | | Descriptor: | CHLORIDE ION, Chorismate synthase, SULFATE ION | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of Aro2p chorismate synthase from Candida lusitaniae
To Be Published
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5KID
 | | Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications | | Descriptor: | CHLORIDE ION, GLYCEROL, N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide), ... | | Authors: | Rupert, P.B, Strong, R.K. | | Deposit date: | 2016-06-16 | | Release date: | 2017-04-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Engineered Recognition of Tetravalent Zirconium and Thorium by Chelator-Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms.
Inorg Chem, 55, 2016
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5K7N
 | | MicroED structure of tau VQIVYK peptide at 1.1 A resolution | | Descriptor: | VQIVYK | | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | | Deposit date: | 2016-05-26 | | Release date: | 2017-04-05 | | Last modified: | 2024-02-28 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.1 Å) | | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
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4FPG
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7RGN
 | | Crystal structure of putative fructose-1,6-bisphosphate aldolase from Candida auris | | Descriptor: | Fructose-bisphosphate aldolase, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-07-15 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of putative fructose-1,6-bisphosphate aldolase from Candida auris
To Be Published
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1MPZ
 | | NMR solution structure of native Viperidae lebetina obtusa protein | | Descriptor: | Obtustatin | | Authors: | Moreno-Murciano, M.P, Monleon, D, Marcinkiewicz, C, Calvete, J.J, Celda, B. | | Deposit date: | 2002-09-13 | | Release date: | 2003-02-11 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of the Non-RGD Disintegrin Obtustatin
J.Mol.Biol., 329, 2003
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3UR6
 | | 1.5A resolution structure of apo Norwalk Virus Protease | | Descriptor: | 3C-like protease | | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | | Deposit date: | 2011-11-21 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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3HHI
 | | Crystal Structure of Cathepsin B from T. brucei in complex with CA074 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cathepsin B-like cysteine protease, GLYCEROL, ... | | Authors: | Wu, P, Kerr, I.D, Brinen, L.S. | | Deposit date: | 2009-05-15 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of TbCatB and rhodesain, potential chemotherapeutic targets and major cysteine proteases of Trypanosoma brucei
Plos Negl Trop Dis, 4, 2010
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