5B0X
 
 | | Crystal structure of the CK2a/benzoic acid derivative complex | | Descriptor: | 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid, Casein kinase II subunit alpha | | Authors: | Kinoshita, T, Nakanishi, I. | | Deposit date: | 2015-11-13 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors
Bioorg.Med.Chem., 24, 2016
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5ARG
 | | SMYD2 in complex with SGC probe BAY-598 | | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | | Deposit date: | 2015-09-24 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
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2I25
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5B6K
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5B4B
 | | Crystal structure of LpxH with lipid X in spacegroup C2 | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Okada, C, Wakabayashi, H, Yao, M, Tanaka, I. | | Deposit date: | 2016-04-03 | | Release date: | 2016-09-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of the UDP-diacylglucosamine pyrophosphohydrase LpxH from Pseudomonas aeruginosa
Sci Rep, 6, 2016
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2HQI
 | | NMR SOLUTION STRUCTURE OF THE OXIDIZED FORM OF MERP, 14 STRUCTURES | | Descriptor: | MERCURIC TRANSPORT PROTEIN | | Authors: | Qian, H, Sahlman, L, Eriksson, P.O, Hambreus, C, Edlund, U, Sethson, I. | | Deposit date: | 1998-03-31 | | Release date: | 1998-11-11 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of the oxidized form of MerP, a mercuric ion binding protein involved in bacterial mercuric ion resistance.
Biochemistry, 37, 1998
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5BMF
 | | Crystal Structure of a Theophylline binding antibody Fab fragment | | Descriptor: | 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate, Fab fragment heavy chain, Fab fragment light chain | | Authors: | Bujotzek, A, Fuchs, A, Changtao, Q, Klostermann, S, Benz, J, Antes, I, Dengl, S, Hoffmann, E, Georges, G. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | MoFvAb: Modeling the Fv region of antibodies.
Mabs, 7, 2015
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3N72
 | | Crystal Structure of Aha-1 from plasmodium falciparum, PFC0270w | | Descriptor: | THIOCYANATE ION, putative activator of HSP90 | | Authors: | Wernimont, A.K, Dong, A, Hutchinson, A, Sullivan, H, Mackenzie, F, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-26 | | Release date: | 2010-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal Structure of Aha-1 from plasmodium falciparum, PFC0270w
To be Published
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1B9W
 | | C-TERMINAL MEROZOITE SURFACE PROTEIN 1 FROM PLASMODIUM CYNOMOLGI | | Descriptor: | PROTEIN (MEROZOITE SURFACE PROTEIN 1) | | Authors: | Bentley, G.A, Chitarra, V, Holm, I, Longacre, S. | | Deposit date: | 1999-02-15 | | Release date: | 1999-05-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of C-terminal merozoite surface protein 1 at 1.8 A resolution, a highly protective malaria vaccine candidate.
Mol.Cell, 3, 1999
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3MTC
 | | Crystal Structure of INPP5B in complex with phosphatidylinositol 4-phosphate | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
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1BEZ
 | | HALOALKANE DEHALOGENASE MUTANT WITH TRP 175 REPLACED BY TYR AT PH 5 | | Descriptor: | ACETIC ACID, HALOALKANE DEHALOGENASE | | Authors: | Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W. | | Deposit date: | 1998-05-18 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
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5BOI
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3MYK
 | | Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236 | | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, MAGNESIUM ION, Myosin-2 heavy chain, ... | | Authors: | Frye, J.J, Klenchin, V.A, Bagshaw, C.R, Rayment, I. | | Deposit date: | 2010-05-10 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Insights into the importance of hydrogen bonding in the gamma-phosphate binding pocket of myosin: structural and functional studies of serine 236
Biochemistry, 49, 2010
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2DF4
 | | Structure of tRNA-Dependent Amidotransferase GatCAB complexed with Mn2+ | | Descriptor: | Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit C, Glutamyl-tRNA(Gln) amidotransferase subunit A, ... | | Authors: | Nakamura, A, Yao, M, Tanaka, I. | | Deposit date: | 2006-02-23 | | Release date: | 2006-07-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Ammonia channel couples glutaminase with transamidase reactions in GatCAB
Science, 312, 2006
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3N1B
 | | C-terminal domain of Vps54 subunit of the GARP complex | | Descriptor: | Vacuolar protein sorting-associated protein 54 | | Authors: | Perez-Victoria, F.J, Abascal-Palacios, G, Tascon, I, Kajava, A, Pioro, E.P, Bonifacino, J.S, Hierro, A. | | Deposit date: | 2010-05-15 | | Release date: | 2010-07-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Structural basis for the wobbler mouse neurodegenerative disorder caused by mutation in the Vps54 subunit of the GARP complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1BH8
 | | HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE | | Descriptor: | TAFII18, TAFII28 | | Authors: | Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D. | | Deposit date: | 1998-06-16 | | Release date: | 1999-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
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3NL7
 | | Human Hemoglobin A mutant beta H63W carbonmonoxy-form | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Birukou, I, Soman, J, Olson, J.S. | | Deposit date: | 2010-06-21 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
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5AMX
 | | Crystal Structure of Proteinase K processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | PROTEINASE K, SULFATE ION | | Authors: | Zander, U, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A. | | Deposit date: | 2015-09-02 | | Release date: | 2016-04-13 | | Last modified: | 2016-04-20 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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2IDZ
 | | Crystal structure of wild type Enoyl-ACP(CoA) reductase from Mycobacterium tuberculosis in complex with NADH-INH | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE | | Authors: | Dias, M.V.B, Prado, M.P.X, Vasconcelos, I.B, Valmir, F, Basso, L.A, Santos, D.S, Azevedo Jr, W.F. | | Deposit date: | 2006-09-15 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
J.Struct.Biol., 159, 2007
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5APC
 | | Hen Egg White Lysozyme illuminated with 0.4THz radiation | | Descriptor: | LYSOZYME C, SODIUM ION | | Authors: | Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G. | | Deposit date: | 2015-09-15 | | Release date: | 2016-01-13 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal
Struct.Dyn., 2, 2015
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2IKO
 | | Crystal Structure of Human Renin Complexed with Inhibitor | | Descriptor: | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE, Renin | | Authors: | Mochalkin, I. | | Deposit date: | 2006-10-02 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
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1BH9
 | | HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE WITH BOUND PCMBS | | Descriptor: | PARA-MERCURY-BENZENESULFONIC ACID, TAFII18, TAFII28 | | Authors: | Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D. | | Deposit date: | 1998-06-16 | | Release date: | 1999-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
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2DQI
 | | Crystal structure of hyhel-10 FV mutant (Ly50a) complexed with hen egg lysozyme | | Descriptor: | Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region | | Authors: | Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. | | Deposit date: | 2006-05-26 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL
J.Biol.Chem., 282, 2007
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2DVZ
 | | Structure of a periplasmic transporter | | Descriptor: | CADMIUM ION, GLUTAMIC ACID, Putative exported protein | | Authors: | Huvent, I, Belrhali, H, Antoine, R, Bompard, C, Locht, C, Jacob-Dubuisson, F, Villeret, V. | | Deposit date: | 2006-08-01 | | Release date: | 2006-11-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of Bordetella pertussis BugE solute receptor in a bound conformation
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2IT6
 | | Crystal Structure of DCSIGN-CRD with man2 | | Descriptor: | CALCIUM ION, CD209 antigen, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Weis, W.I, Feinberg, H, Castelli, R, Drickamer, K, Seeberger, P.H. | | Deposit date: | 2006-10-19 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Multiple modes of binding enhance the affinity of DC-SIGN for high mannose N-linked glycans found on viral glycoproteins.
J.Biol.Chem., 282, 2007
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