5G42
 
 | | Ligand complex of RORg LBD | | Descriptor: | 5-chloranyl-2,3-dihydroindole-1-carboxamide, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ... | | Authors: | Xue, Y, Guo, H, Hillertz, P. | | Deposit date: | 2016-05-04 | | Release date: | 2016-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
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6HY7
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5Z0Z
 | | Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG - D242A mutant | | Descriptor: | Pilus assembly protein | | Authors: | Chaurasia, P, Pratap, S, Palva, A, von Ossowski, I, Krishnan, V. | | Deposit date: | 2017-12-22 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Bent conformation of a backbone pilin N-terminal domain supports a three-stage pilus assembly mechanism.
Commun Biol, 1, 2018
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6GG2
 | | The structure of FsqB from Aspergillus fumigatus, a flavoenzyme of the amine oxidase family | | Descriptor: | Amino acid oxidase fmpA, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Pavkov-Keller, T, Lahham, M, Macheroux, P, Gruber, K. | | Deposit date: | 2018-05-02 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Oxidative cyclization ofN-methyl-dopa by a fungal flavoenzyme of the amine oxidase family.
J. Biol. Chem., 293, 2018
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5G23
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6GHX
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5G58
 | | Crystal structure of A190T mutant of human hippocalcin AT 2.5 A resolution | | Descriptor: | CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin | | Authors: | Antonyuk, S.V, Helassa, N, Lian, L.Y, Haynes, L.P, Burgoyne, R.D. | | Deposit date: | 2016-05-22 | | Release date: | 2017-05-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia.
Hum. Mol. Genet., 26, 2017
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5GIH
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5UJE
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2VGO
 | | Crystal structure of Aurora B kinase in complex with Reversine inhibitor | | Descriptor: | INNER CENTROMERE PROTEIN A, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, SERINE/THREONINE-PROTEIN KINASE 12-A | | Authors: | D'Alise, A.M, Amabile, G, Iovino, M, Di Giorgio, F.P, Bartiromo, M, Sessa, F, Villa, F, Musacchio, A, Cortese, R. | | Deposit date: | 2007-11-15 | | Release date: | 2008-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reversine, a Novel Aurora Kinases Inhibitor, Inhibits Colony Formation of Human Acute Myeloid Leukemia Cells.
Mol.Cancer Ther., 7, 2008
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2VB5
 | | Solution structure of W60G mutant of human beta2-microglobulin | | Descriptor: | BETA-2-MICROGLOBULIN | | Authors: | Esposito, G, Corazza, A, Rennella, E, Gumral, D, Mimmi, M.C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M, Bellotti, V. | | Deposit date: | 2007-09-06 | | Release date: | 2007-09-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Controlling Roles of Trp60 and Trp95 in Beta2-Microglobulin Function, Folding and Amyloid Aggregation Properties.
J.Mol.Biol., 378, 2008
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6GLU
 | | Crystal structure of hMTH1 D120N in complex with LW14 in the presence of acetate | | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | hMTH1 D120N in complex with LW14
To Be Published
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6GIH
 | | Crystal Structure of CK2alpha with CAM187 bound | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | | Authors: | Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2018-05-11 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Bioorg. Med. Chem., 26, 2018
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3OM6
 | | Crystal structure of B. megaterium levansucrase mutant Y247A | | Descriptor: | CALCIUM ION, Levansucrase, SULFATE ION, ... | | Authors: | Strube, C.P, Homann, A, Gamer, M, Jahn, D, Seibel, J, Heinz, D.W. | | Deposit date: | 2010-08-26 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs.
J.Biol.Chem., 286, 2011
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1KJY
 | | Crystal Structure of Human G[alpha]i1 Bound to the GoLoco Motif of RGS14 | | Descriptor: | CESIUM ION, GUANINE NUCLEOTIDE-BINDING PROTEIN G(I), ALPHA-1 SUBUNIT, ... | | Authors: | Kimple, R.J, Kimple, M.E, Betts, L, Sondek, J, Siderovski, D.P. | | Deposit date: | 2001-12-05 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural determinants for GoLoco-induced inhibition of nucleotide release by Galpha subunits.
Nature, 416, 2002
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3OOM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 | | Descriptor: | 1,2-ETHANEDIOL, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, Activin receptor type-1, ... | | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507
To be Published
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3ZM8
 | | Crystal structure of Podospora anserina GH26-CBM35 beta-(1,4)- mannanase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GH26 ENDO-BETA-1,4-MANNANASE, ... | | Authors: | Couturier, M, Roussel, A, Rosengren, A, Leone, P, Stalbrand, H, Berrin, J.G. | | Deposit date: | 2013-02-06 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Families 5 and 26 Beta-(1,4)-Mannanases from Podospora Anserina Reveal Differences Upon Manno-Oligosaccharides Catalysis.
J.Biol.Chem., 288, 2013
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5EGJ
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6GLF
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6GLL
 | | Crystal structure of hMTH1 N33A in complex with LW14 in the presence of acetate | | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | hMTH1 N33A in complex with LW14
To Be Published
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6GNV
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a isopropyl methyl indole aryl sulphonamide ligand | | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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3DWG
 | | Crystal structure of a sulfur carrier protein complex found in the cysteine biosynthetic pathway of Mycobacterium tuberculosis | | Descriptor: | 9.5 kDa culture filtrate antigen cfp10A, Cysteine synthase B, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Jurgenson, C.T, Burns, K.E, Begley, T.P, Ealick, S.E. | | Deposit date: | 2008-07-22 | | Release date: | 2008-09-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal structure of a sulfur carrier protein complex found in the cysteine biosynthetic pathway of Mycobacterium tuberculosis.
Biochemistry, 47, 2008
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5V5B
 | | KVQIINKKLD, Structure of the amyloid spine from microtubule associated protein tau Repeat 2 | | Descriptor: | Microtubule-associated protein tau | | Authors: | Seidler, P.M, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S, Cascio, D, Boyer, D.R. | | Deposit date: | 2017-03-13 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | | Cite: | Structure-based inhibitors of tau aggregation.
Nat Chem, 10, 2018
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1GES
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6GXT
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | | Deposit date: | 2018-06-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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