4MW9
 
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478) | | Descriptor: | 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4EGA
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320 | | Descriptor: | 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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4EGQ
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4EI5
 | | Crystal Structure of XV19 TCR in complex with CD1d-sulfatide C24:1 | | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Patel, O, Gras, S, Rossjohn, J. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Recognition of CD1d-sulfatide mediated by a type II natural killer T cell antigen receptor.
Nat.Immunol., 13, 2012
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4EHP
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4MWB
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509) | | Descriptor: | 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.313 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4N20
 | | Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.657 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4ERY
 | | X-ray structure of WDR5-MLL3 Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-21 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
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4ES9
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4N5K
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4N7O
 | | Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin with phosphate at 2.5 A resolution. | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sugiyama, K, Shibayama, N, Park, S.Y. | | Deposit date: | 2013-10-16 | | Release date: | 2014-04-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
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4EVB
 | | Crystal Structure HP-NAP from strain YS39 zinc soaked (20mM) | | Descriptor: | 1,2-ETHANEDIOL, Neutrophil-activating protein, SULFATE ION, ... | | Authors: | Yokoyama, H, Tsuruta, O, Akao, N, Fujii, S. | | Deposit date: | 2012-04-26 | | Release date: | 2012-06-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Helicobacter pylori neutrophil-activating protein with a di-nuclear ferroxidase center in a zinc or cadmium-bound form
Biochem.Biophys.Res.Commun., 422, 2012
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4KJN
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/V66A/V99T at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-05-03 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Cavities in proteins
To be Published
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4KLX
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4KMD
 | | Crystal structure of Sufud60-Gli1p | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Sufu, ... | | Authors: | Zhang, Y, Qi, X, Zhang, Z, Wu, G. | | Deposit date: | 2013-05-08 | | Release date: | 2013-11-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
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4KD4
 | | Crystal structure of Staphylococcal nuclease variant V23L/L25V/V66I/I72V at cryogenic temperature | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Caro, J.A, Flores, E, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-04-24 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Pressure effects in proteins
To be Published
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4E93
 | | Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)in complex with TAE684 | | Descriptor: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, Tyrosine-protein kinase Fes/Fps | | Authors: | Filippakopoulos, P, Salah, E, Miduturu, C.V, Fedorov, O, Cooper, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-03-20 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Small-Molecule Inhibitors of the c-Fes Protein-Tyrosine Kinase.
Chem.Biol., 19, 2012
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4KFM
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4KRE
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4KHM
 | | HCV NS5B GT1A with GSK5852 | | Descriptor: | HCV Polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | | Authors: | Williams, S.P, Kahler, K.M, Shotwell, J.B. | | Deposit date: | 2013-04-30 | | Release date: | 2013-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
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4EDU
 | | The MBT repeats of human SCML2 in a complex with histone H2A peptide | | Descriptor: | Histone H2A.J peptide, Sex comb on midleg-like protein 2 | | Authors: | Nady, N, Amaya, M.F, Tempel, W, Ravichandran, M, Arrowsmith, C.H. | | Deposit date: | 2012-03-27 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Histone recognition by human malignant brain tumor domains.
J.Mol.Biol., 423, 2012
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4K59
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4KMO
 | | Crystal Structure of the Vps33-Vps16 HOPS subcomplex from Chaetomium thermophilum | | Descriptor: | Putative vacuolar protein sorting-associated protein, SULFATE ION, Small conjugating protein ligase-like protein | | Authors: | Baker, R.W, Jeffrey, P.D, Hughson, F.M. | | Deposit date: | 2013-05-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the Sec1/Munc18 (SM) Protein Vps33, Alone and Bound to the Homotypic Fusion and Vacuolar Protein Sorting (HOPS) Subunit Vps16*
Plos One, 8, 2013
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4KNE
 | | Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with cycloguanil | | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase | | Authors: | Dias, M.V.B, Tyrakis, P, Blundell, T.L. | | Deposit date: | 2013-05-09 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
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4KNM
 | | Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | | Descriptor: | 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 13, TRIETHYLENE GLYCOL, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2013-05-10 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
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