2NP8
 
 | | Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors | | Descriptor: | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6 | | Authors: | Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V. | | Deposit date: | 2006-10-26 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2STD
 | | SCYTALONE DEHYDRATASE COMPLEXED WITH TIGHT-BINDING INHIBITOR CARPROPAMID | | Descriptor: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, SCYTALONE DEHYDRATASE, SULFATE ION | | Authors: | Nakasako, M, Motoyama, T, Kurahashi, Y, Yamaguchi, I. | | Deposit date: | 1997-12-21 | | Release date: | 1999-02-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cryogenic X-ray crystal structure analysis for the complex of scytalone dehydratase of a rice blast fungus and its tight-binding inhibitor, carpropamid: the structural basis of tight-binding inhibition.
Biochemistry, 37, 1998
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1U6F
 | | NMR solution structure of TcUBP1, a single RBD-unit from Trypanosoma cruzi | | Descriptor: | RNA-binding protein UBP1 | | Authors: | Volpon, L, D'orso, I, Frasch, A, Gehring, K. | | Deposit date: | 2004-07-29 | | Release date: | 2005-01-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Structural Study of TcUBP1, a Single RRM Domain Protein from Trypanosoma cruzi: Contribution of a beta Hairpin to RNA Binding
Biochemistry, 44, 2005
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1UA6
 | | Crystal structure of HYHEL-10 FV MUTANT SFSF complexed with HEN EGG WHITE LYSOZYME complex | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Kumagai, I, Nishimiya, Y, Kondo, H, Tsumoto, K. | | Deposit date: | 2003-02-28 | | Release date: | 2004-03-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural consequences of target epitope-directed functional alteration of an antibody. The case of anti-hen lysozyme antibody, HyHEL-10
J.Biol.Chem., 278, 2003
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5FNA
 | | Cryo-EM reconstruction of caspase-1 CARD | | Descriptor: | Caspase-1 | | Authors: | Li, Y, Lu, A, Schmidt, F.I, Yin, Q, Chen, S, Fu, T.M, Tong, A.B, Ploegh, H.L, Mao, Y, Wu, H. | | Deposit date: | 2015-11-11 | | Release date: | 2016-03-30 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Molecular Basis of Caspase-1 Polymerization and its Inhibition by a Novel Capping Mechanism
Nat.Struct.Mol.Biol., 23, 2016
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2UVZ
 | | Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine | | Descriptor: | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
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5FLW
 | | Crystal structure of putative exo-beta-1,3-galactanase from Bifidobacterium bifidum s17 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EXO-BETA-1,3-GALACTANASE | | Authors: | Godoy, A.S, de Lima, M.Z.T, Ramia, M.P, Camilo, C.M, Muniz, J.R.C, Polikarpov, I. | | Deposit date: | 2015-10-28 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Crystal structure of a putative exo-beta-1,3-galactanase from Bifidobacterium bifidum S17.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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6F6W
 | | Structure of Mycobacterium smegmatis RNA polymerase core | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Kouba, T, Barvik, I, Krasny, L. | | Deposit date: | 2017-12-06 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | The Core and Holoenzyme Forms of RNA Polymerase fromMycobacterium smegmatis.
J. Bacteriol., 201, 2019
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2UVY
 | | Structure of PKA-PKB chimera complexed with methyl-(4-(9H-purin-6-yl)- benzyl)-amine | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, ... | | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
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2NML
 | | Crystal structure of HEF2/ERH at 1.55 A resolution | | Descriptor: | Enhancer of rudimentary homolog | | Authors: | Jin, T.C, Guo, F, Serebriiskii, I.G, Howard, A.J, Zhang, Y.Z. | | Deposit date: | 2006-10-21 | | Release date: | 2006-10-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A 1.55 A resolution X-ray crystal structure of HEF2/ERH and insights into its transcriptional and cell-cycle interaction networks.
Proteins, 68, 2007
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3T1T
 | | MglA bound to GDP in P1 tetrameric arrangement | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Gliding protein mglA | | Authors: | Miertzschke, M, Vetter, I.R, Koerner, C, Wittinghofer, A. | | Deposit date: | 2011-07-22 | | Release date: | 2011-08-31 | | Last modified: | 2011-11-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of the Ras-like G protein MglA and its cognate GAP MglB and implications for bacterial polarity.
Embo J., 30, 2011
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1U8A
 | | Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and ADP at 2.15 Angstrom Resolution | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Dhaliwal, B, Nichols, C.E, Ren, J, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2004-08-05 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystallographic studies of shikimate binding and induced conformational changes in Mycobacterium tuberculosis shikimate kinase.
Febs Lett., 574, 2004
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2NMP
 | | Crystal structure of human Cystathionine gamma lyase | | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van-den-Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-23 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
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2NCE
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1TR4
 | | Solution structure of human oncogenic protein gankyrin | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 10 | | Authors: | Yuan, C, Li, J, Mahajan, A, Poi, M.J, Byeon, I.J, Tsai, M.D. | | Deposit date: | 2004-06-19 | | Release date: | 2004-11-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the human oncogenic protein gankyrin containing seven ankyrin repeats and analysis of its structure--function relationship.
Biochemistry, 43, 2004
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2UW0
 | | Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine | | Descriptor: | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
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1TTX
 | | Solution Structure of human beta parvalbumin (oncomodulin) refined with a paramagnetism based strategy | | Descriptor: | CALCIUM ION, Oncomodulin | | Authors: | Babini, E, Bertini, I, Capozzi, F, Del Bianco, C, Hollender, D, Kiss, T, Luchinat, C, Quattrone, A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-06-23 | | Release date: | 2005-01-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Human beta-Parvalbumin and Structural Comparison with Its Paralog alpha-Parvalbumin and with Their Rat Orthologs(,)
Biochemistry, 43, 2004
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2UY8
 | | R92A mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, OXALATE DECARBOXYLASE OXDC | | Authors: | Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | | Deposit date: | 2007-04-03 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations.
Biochem.J., 407, 2007
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2UVX
 | | Structure of PKA-PKB chimera complexed with 7-azaindole | | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
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5FJS
 | | Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects in human glucocerebrosidase 2 (GBA2) | | Descriptor: | CALCIUM ION, GLUCOSYLCERAMIDASE | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Breen, I, Mutoha, R, Sansenya, S, Hua, Y, Tankrathok, A, Wu, L, Songsiriritthigul, C, Tanaka, H, Williams, S.J, Davies, G.J, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-10-12 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bacterial Beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (Gba2)
Acs Chem.Biol., 11, 2016
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2V31
 | | Structure of First Catalytic Cysteine Half-domain of mouse ubiquitin- activating enzyme | | Descriptor: | UBIQUITIN-ACTIVATING ENZYME E1 X | | Authors: | Jaremko, L, Jaremko, M, Wojciechowski, W, Filipek, R, Szczepanowski, R.H, Bochtler, M, Zhukov, I. | | Deposit date: | 2007-06-11 | | Release date: | 2008-06-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of First Catalytic Cysteine Half-Domain of Mouse Ubiquitin-Activating Enzyme
To be Published
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5FEG
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3RVH
 | | Crystal Structure of JMJD2A Complexed with Inhibitor | | Descriptor: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ... | | Authors: | King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor
To be Published
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3RXM
 | | Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine | | Descriptor: | 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RY1
 | | Wild-type core streptavidin at atomic resolution | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Streptavidin | | Authors: | Stenkamp, R.E, Wang, Z, Le Trong, I, Stayton, P.S, Lybrand, T.P. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Streptavidin and its biotin complex at atomic resolution.
Acta Crystallogr.,Sect.D, 67, 2011
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