2XU4
 
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | Descriptor: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL | | Authors: | Banner, D.W, Benz, J.M, Haap, W. | | Deposit date: | 2010-10-14 | | Release date: | 2011-01-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
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4I7M
 | | T4 Lysozyme L99A/M102H with 2-allylphenol bound | | Descriptor: | 2-ALLYLPHENOL, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | | Authors: | Merski, M, Shoichet, B.K. | | Deposit date: | 2012-11-30 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
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4I7K
 | | T4 Lysozyme L99A/M102H with toluene bound | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Merski, M, Shoichet, B.K. | | Deposit date: | 2012-11-30 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
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5VGY
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | Descriptor: | (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2017-04-11 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
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1Y4D
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant | | Descriptor: | CALCIUM ION, SODIUM ION, chymotrypsin inhibitor 2, ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-30 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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1YJB
 | | SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 35% DIMETHYLFORMAMIDE | | Descriptor: | CALCIUM ION, SUBTILISIN 8397+1 | | Authors: | Kidd, R.D, Farber, G.K. | | Deposit date: | 1996-01-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
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5U0D
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | | Deposit date: | 2016-11-23 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
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2UZS
 | | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K) | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-alpha serine/threonine-protein kinase | | Authors: | Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E. | | Deposit date: | 2007-05-01 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer.
Nature, 448, 2007
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1YKC
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5TY8
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | Descriptor: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | | Deposit date: | 2016-11-18 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
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1Y33
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58P mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-23 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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5TZL
 | | Structure of transthyretin in complex with the kinetic stabilizer 201 | | Descriptor: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | | Authors: | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | | Deposit date: | 2016-11-21 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5UVJ
 | | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | | Deposit date: | 2017-02-20 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
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5UVK
 | | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | | Deposit date: | 2017-02-20 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
Iucrj, 4, 2017
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5UXZ
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5UQ1
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2BAM
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4JXW
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4JGL
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2YJF
 | | Oligomeric assembly of actin bound to MRTF-A | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Mouilleron, S, Langer, C.A, Guettler, S, McDonald, N.Q, Treisman, R. | | Deposit date: | 2011-05-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a pentavalent G-actin*MRTF-A complex reveals how G-actin controls nucleocytoplasmic shuttling of a transcriptional coactivator.
Sci Signal, 4, 2011
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2X7O
 | | Crystal structure of TGFbRI complexed with an indolinone inhibitor | | Descriptor: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I | | Authors: | Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. | | Deposit date: | 2010-03-03 | | Release date: | 2010-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri)
J.Med.Chem., 53, 2010
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2WQ0
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2WPZ
 | | GCN4 leucine zipper mutant with two VxxNxxx motifs coordinating chloride | | Descriptor: | CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4 | | Authors: | Zeth, K, Hartmann, M.D, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B. | | Deposit date: | 2009-08-12 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A Coiled-Coil Motif that Sequesters Ions to the Hydrophobic Core.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7K5N
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5VL4
 | | Accidental minimum contact crystal lattice formed by a redesigned protein oligomer | | Descriptor: | T33-53H-B | | Authors: | Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T. | | Deposit date: | 2017-04-24 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
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