5VIL
 
 | | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6) | | Descriptor: | 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 | | Authors: | Jasti, J, Chang, J, Kurumbail, R. | | Deposit date: | 2017-04-17 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
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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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1TM4
 | | crystal structure of the complex of subtilsin BPN'with chymotrypsin inhibitor 2 M59G mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2004-06-10 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
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5W14
 | | ADC-7 in complex with boronic acid transition state inhibitor S03043 | | Descriptor: | 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid, Beta-lactamase | | Authors: | Smolen, K.A, Powers, R.A, Wallar, B.J. | | Deposit date: | 2017-06-01 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
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1SXA
 | | CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | | Deposit date: | 1995-03-17 | | Release date: | 1995-06-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution.
J.Mol.Biol., 251, 1995
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5VIG
 | | Crystal structure of anti-Zika antibody Z006 bound to Zika virus envelope protein DIII | | Descriptor: | CITRATE ANION, Fab heavy chain, Fab light chain, ... | | Authors: | Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-05-03 | | Last modified: | 2017-05-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico.
Cell, 169, 2017
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1SSZ
 | | Conformational Mapping of Mini-B: An N-terminal/C-terminal Construct of Surfactant Protein B Using 13C-Enhanced Fourier Transform Infrared (FTIR) Spectroscopy | | Descriptor: | Pulmonary surfactant-associated protein B | | Authors: | Waring, A.J, Walther, F.J, Gordon, L.M, Hernandez-Juviel, J.M, Hong, T, Sherman, M.A, Alonso, C, Alig, T, Braun, A, Bacon, D, Zasadzinski, J.A. | | Deposit date: | 2004-03-24 | | Release date: | 2004-06-15 | | Last modified: | 2019-04-24 | | Method: | INFRARED SPECTROSCOPY | | Cite: | The role of charged amphipathic helices in the structure and function of surfactant protein B.
J.Pept.Res., 66, 2005
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1URI
 | | AZURIN MUTANT WITH MET 121 REPLACED BY GLN | | Descriptor: | AZURIN, COPPER (II) ION, SULFATE ION | | Authors: | Romero, A, Nar, H, Huber, R, Messerschmidt, A. | | Deposit date: | 1996-11-14 | | Release date: | 1997-04-01 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | X-ray analysis and spectroscopic characterization of M121Q azurin. A copper site model for stellacyanin.
J.Mol.Biol., 229, 1993
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5VID
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1UNO
 | | Crystal structure of a d,l-alternating peptide | | Descriptor: | H-(L-TYR-D-TYR)4-LYS-OH | | Authors: | Alexopoulos, E, Kuesel, A, Uson, I, Diederichsen, U, Sheldrick, G.M. | | Deposit date: | 2003-09-11 | | Release date: | 2004-09-24 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Solution and Structure of an Alternating D,L-Peptide
Acta Crystallogr.,Sect.D, 60, 2004
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5VLI
 | | Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934) | | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bernard, S.M, Wilson, I.A. | | Deposit date: | 2017-04-25 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
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1UY4
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5VR6
 | | Structure of Human Sts-1 histidine phosphatase domain with sulfate bound | | Descriptor: | SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein B | | Authors: | Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B. | | Deposit date: | 2017-05-10 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
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5TG5
 | | OXA-24/40 in Complex with Boronic Acid BA8 | | Descriptor: | BICARBONATE ION, Beta-lactamase, METHANETHIOL, ... | | Authors: | Powers, R.A, Werner, J.P, Mitchell, J.M. | | Deposit date: | 2016-09-27 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
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5TK0
 | | Lysozyme structure collected with 3D printed polymer mounts | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Kilah, N.L, MacDonald, N, Bunton, G, Park, A.Y, Breadmore, M.C. | | Deposit date: | 2016-10-06 | | Release date: | 2017-04-05 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | 3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.
Anal. Chem., 89, 2017
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5TG7
 | | OXA-24/40 in Complex with Boronic Acid BA3 | | Descriptor: | (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid, BICARBONATE ION, Beta-lactamase, ... | | Authors: | Powers, R.A, Werner, J.P, Mitchell, J.M. | | Deposit date: | 2016-09-27 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
Protein Sci., 26, 2017
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1TN5
 | | Structure of bacterorhodopsin mutant K41P | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Yohannan, S, Yang, D, Faham, S, Boulting, G, Whitelegge, J, Bowie, J.U. | | Deposit date: | 2004-06-11 | | Release date: | 2004-10-19 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Proline substitutions are not easily accommodated in a membrane protein
J.Mol.Biol., 341, 2004
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1TO1
 | | crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
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1TO2
 | | crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K, in pH 9 cryosoak | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
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1TN0
 | | Structure of bacterorhodopsin mutant A51P | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Yohannan, S, Yang, D, Faham, S, Boulting, G, Whitelegge, J, Bowie, J.U. | | Deposit date: | 2004-06-11 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Proline substitutions are not easily accommodated in a membrane protein
J.Mol.Biol., 341, 2004
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1TRM
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1UY3
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1UY2
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1UY1
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1ULA
 | | APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | | Descriptor: | PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | | Authors: | Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E. | | Deposit date: | 1991-11-05 | | Release date: | 1993-01-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991
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