3OJP
 
 | | D52N Mutant of Hen Egg White Lysozyme (HEWL) | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E. | | Deposit date: | 2010-08-23 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | D52N Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED
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3B9X
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7XAF
 | | The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | | Descriptor: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2022-03-17 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.001182 Å) | | Cite: | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
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3B2K
 | | Iodide derivative of human LFABP | | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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3B4Y
 | | FGD1 (Rv0407) from Mycobacterium tuberculosis | | Descriptor: | CITRATE ANION, COENZYME F420, PROBABLE F420-DEPENDENT GLUCOSE-6-PHOSPHATE DEHYDROGENASE FGD1 | | Authors: | Bashiri, G, Squire, C.J, Moreland, N.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-10-25 | | Release date: | 2008-04-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding
J.Biol.Chem., 283, 2008
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3B8I
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3P0X
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3B2H
 | | Iodide derivative of human LFABP at high resolution | | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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3P67
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3P7X
 | | Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325 | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Probable thiol peroxidase, ... | | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | | Deposit date: | 2010-10-13 | | Release date: | 2011-10-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325
To be Published
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4N1R
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3OYX
 | | Haloferax volcanii Malate Synthase Magnesium/Glyoxylate Complex | | Descriptor: | CHLORIDE ION, GLYOXYLIC ACID, MAGNESIUM ION, ... | | Authors: | Howard, B.R, Bracken, C, Neighbor, A, Thomas, G, Lamlenn, K.K, Schubert, H.L, Whitby, F.G. | | Deposit date: | 2010-09-24 | | Release date: | 2011-06-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Bmc Struct.Biol., 11, 2011
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4MSN
 | | Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline) | | Descriptor: | 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | | Deposit date: | 2013-09-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
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3BQB
 | | Hexagonal kristal form of 2-keto-3-deoxyarabinonate dehydratase | | Descriptor: | MAGNESIUM ION, Putative uncharacterized protein | | Authors: | Barends, T.M, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L. | | Deposit date: | 2007-12-20 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily
J.Mol.Biol., 379, 2008
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3P4U
 | | Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor | | Descriptor: | Ac-VEID-CHO inhibitor, Caspase-6 | | Authors: | Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | | Deposit date: | 2010-10-07 | | Release date: | 2011-09-28 | | Last modified: | 2015-12-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of active and inhibitor-bound human Casp6
To be Published
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4N9A
 | | E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid | | Descriptor: | (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-10-19 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
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4N1E
 | | Structural evidence for antigen receptor evolution | | Descriptor: | Lysozyme C, immunoglobulin variable light chain domain | | Authors: | Langley, D.B, Rouet, R, Stock, D, Christ, D. | | Deposit date: | 2013-10-04 | | Release date: | 2014-10-29 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3ONK
 | | yeast Ent3_ENTH domain | | Descriptor: | Epsin-3 | | Authors: | Wang, J, Fang, P, Niu, L, Teng, M. | | Deposit date: | 2010-08-29 | | Release date: | 2011-07-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
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4N30
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6T38
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | | Deposit date: | 2019-10-10 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
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3ATI
 | | Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine | | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.71 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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3ATM
 | | Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 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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3OYZ
 | | Haloferax volcanii Malate Synthase Pyruvate/Acetyl-CoA Ternary Complex | | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Howard, B.R, Bracken, C, Neighbor, A, Thomas, G, Lamlenn, K.K, Schubert, H.L, Whitby, F.G. | | Deposit date: | 2010-09-24 | | Release date: | 2011-06-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G.
Bmc Struct.Biol., 11, 2011
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3P45
 | | Crystal structure of apo-caspase-6 at physiological pH | | Descriptor: | caspase-6 | | Authors: | Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | | Deposit date: | 2010-10-06 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal structures of active and inhibitor-bound human Casp6
To be Published
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4M4N
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