4K1E
 
 | | Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein-4, LITHIUM ION, ... | | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | | Deposit date: | 2013-04-04 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
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2QV5
 | | Crystal structure of uncharacterized protein ATU2773 from Agrobacterium tumefaciens C58 | | Descriptor: | GLYCEROL, Uncharacterized protein Atu2773 | | Authors: | Patskovsky, Y, Bonanno, J.B, Sojitra, S, Dickey, M, Bain, K.T, Iizuka, M, Smith, D, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-08-07 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Uncharacterized Protein Atu2773 from Agrobacterium Tumefaciens.
To be Published
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4K0G
 | | Crystal structure of human CLIC1 C24S mutant | | Descriptor: | ACETATE ION, CALCIUM ION, Chloride intracellular channel protein 1 | | Authors: | Phang, J.M, Harrop, S.J, Duff, A.P, Wilk, K.E, Curmi, P.M.G. | | Deposit date: | 2013-04-03 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure analysis of CLIC1 C24 mutants
To be Published
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2R1F
 | | Crystal structure of predicted aminodeoxychorismate lyase from Escherichia coli | | Descriptor: | CADMIUM ION, GLYCEROL, Predicted aminodeoxychorismate lyase, ... | | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Meyer, A.J, Rutter, M, Lau, C, Maletic, M, Smith, D, Gheyi, T, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-08-22 | | Release date: | 2007-09-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of Predicted Aminodeoxychorismate Lyase from Escherichia coli.
To be Published
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6T9U
 | | Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) | | Descriptor: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | | Authors: | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | | Deposit date: | 2019-10-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.067509 Å) | | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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3SS8
 | | Crystal structure of NFeoB from S. thermophilus bound to GDP.AlF4- and K+ | | Descriptor: | Ferrous iron uptake transporter protein B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | | Deposit date: | 2011-07-08 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | The initiation of GTP hydrolysis by the G-domain of FeoB: insights from a transition-state complex structure
Plos One, 6, 2011
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2R4H
 | | Crystal structure of a C1190S mutant of the 6th PDZ domain of human membrane associated guanylate kinase | | Descriptor: | HISTIDINE, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 | | Authors: | Ugochukwu, E, Pilka, E.S, Hozjan, V, Kavanagh, K.L, Cooper, C, Pike, A.C.W, Elkins, J.M, Doyle, D.A, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-08-31 | | Release date: | 2007-10-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a C1190S mutant of the 6th PDZ domain of human membrane associated guanylate kinase.
To be Published
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1ZVU
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2QSD
 | | Crystal structure of a protein Il1583 from Idiomarina loihiensis | | Descriptor: | GLYCEROL, Uncharacterized conserved protein | | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Romero, R, Rutter, M, Koss, J, Mckenzie, C, Gheyi, T, Bain, K, Wasserman, S.R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-14 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a Protein Il1583 from Idiomarina loihiensis.
To be Published
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4KGA
 | | Crystal structure of kallikrein-related peptidase 4 | | Descriptor: | 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION | | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | | Deposit date: | 2013-04-29 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
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1ZVT
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2QZB
 | | Crystal structure of the uncharacterized protein yfeY from Escherichia coli | | Descriptor: | Uncharacterized protein yfeY | | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Wu, B, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-08-16 | | Release date: | 2007-08-28 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the uncharacterized protein yfeY from Escherichia coli.
To be Published
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3SN1
 | | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and tartrate | | Descriptor: | CHLORIDE ION, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-27 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and tartrate
To be Published
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3S48
 | | Human Alpha-Haemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus | | Descriptor: | Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kumar, K.K, Jacques, D.A, Caradoc-Davies, T.T, Guss, J.M, Gell, D.A. | | Deposit date: | 2011-05-19 | | Release date: | 2012-05-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | The structure of alpha-haemoglobin in complex with a haemoglobin-binding domain from Staphylococcus aureus reveals the elusive alpha-haemoglobin dimerization interface
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
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1HA6
 | | NMR Solution Structure of Murine CCL20/MIP-3a Chemokine | | Descriptor: | MACROPHAGE INFLAMMATORY PROTEIN 3 ALPHA | | Authors: | Perez-Canadillas, J.M, Zaballos, A, Gutierrez, J, Varona, R, Roncal, F, Albar, J.P, Marquez, G, Bruix, M. | | Deposit date: | 2001-03-28 | | Release date: | 2001-08-22 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of Murine Ccl20/Mip3-A, a Chemiokine that Specifically Chemoattracs Immature Dendritic Cells and Lymphocytes Through its Highly Specific Interaction with the Beta-Chemokine Receptor Ccr6
J.Biol.Chem., 276, 2001
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2RMM
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6T9V
 | | Bovine Trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) | | Descriptor: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | | Authors: | Merkl, S, Keils, A, Mueller, J.M, Pilgram, O, Steinmetzer, T. | | Deposit date: | 2019-10-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12642729 Å) | | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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2R9G
 | | Crystal structure of the C-terminal fragment of AAA ATPase from Enterococcus faecium | | Descriptor: | AAA ATPase, central region, ACETATE ION, ... | | Authors: | Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Shi, W, Toro, R, Meyer, A.J, Rutter, M, Wu, B, Groshong, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-09-12 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of the C-Terminal Domain of AAA ATPase from Enterococcus faecium.
To be Published
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4K8J
 | | Crystal Structure of Staphylococcal nuclease mutant V23L/V66I | | Descriptor: | Thermonuclease | | Authors: | Sanders, J.M, Gill, E, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E. | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hydrophobic core mutants of Staphylococcal nuclease
To be Published
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3UJ9
 | | Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with phosphocholine | | Descriptor: | PHOSPHOCHOLINE, Phosphoethanolamine N-methyltransferase | | Authors: | Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M. | | Deposit date: | 2011-11-07 | | Release date: | 2011-11-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
J.Biol.Chem., 287, 2012
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2BTP
 | | 14-3-3 Protein Theta (Human) Complexed to Peptide | | Descriptor: | 14-3-3 PROTEIN TAU, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | | Authors: | Elkins, J.M, Johansson, A.C.E, Smee, C, Yang, X, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-05 | | Release date: | 2005-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
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2TSR
 | | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | | Deposit date: | 1998-06-19 | | Release date: | 1999-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
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4IJI
 | | Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione | | Descriptor: | ACRYLIC ACID, BENZOIC ACID, Glutathione S-transferase-like protein YibF, ... | | Authors: | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-12-21 | | Release date: | 2013-02-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione
To be Published
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4A1O
 | | Crystal structure of Mycobacterium tuberculosis PurH complexed with AICAR and a novel nucleotide CFAIR, at 2.48 A resolution. | | Descriptor: | 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, ... | | Authors: | Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N. | | Deposit date: | 2011-09-17 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
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2R5X
 | | Crystal structure of uncharacterized conserved protein YugN from Geobacillus kaustophilus HTA426 | | Descriptor: | Uncharacterized conserved protein | | Authors: | Ramagopal, U.A, Patskovsky, Y, Shi, W, Toro, R, Meyer, A.J, Freeman, J, Wu, B, Koss, J, Groshong, C, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-09-04 | | Release date: | 2007-09-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure of uncharacterized protein YugN from Geobacillus kaustophilus HTA426.
To be Published
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