6I48
 
 | | Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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6I47
 | | Structure of P. aeruginosa LpxC with compound 10: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-1-oxoisoindolin-2-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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6I49
 | | Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide | | Descriptor: | (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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6RJ1
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1JUQ
 | | GGA3 VHS domain complexed with C-terminal peptide from cation-dependent Mannose 6-phosphate receptor | | Descriptor: | ADP-RIBOSYLATION FACTOR BINDING PROTEIN GGA3, Cation-dependent mannose-6-phosphate receptor | | Authors: | Misra, S, Puertollano, R, Bonifacino, J.S, Hurley, J.H. | | Deposit date: | 2001-08-26 | | Release date: | 2002-02-27 | | Last modified: | 2016-10-12 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for acidic-cluster-dileucine sorting-signal recognition by VHS domains.
Nature, 415, 2002
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8CA0
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2CKI
 | | Structure of Ulilysin, a member of the pappalysin family of metzincin metalloendopeptidases. | | Descriptor: | ARGININE, CALCIUM ION, GLYCEROL, ... | | Authors: | Tallant, C, Garcia-Castellanos, R, Seco, J, Baumann, U, Gomis-Ruth, F.X. | | Deposit date: | 2006-04-19 | | Release date: | 2006-05-09 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Analysis of Ulilysin, the Structural Prototype of a New Family of Metzincin Metalloproteases.
J.Biol.Chem., 281, 2006
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6TLZ
 | | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 3'SL | | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
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6TM0
 | | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL | | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
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5W7J
 | | X-ray structure of the E89A variant of ankyrin repeat domain of DHHC17 in complex with Snap25b peptide | | Descriptor: | Palmitoyltransferase ZDHHC17, Snap25b-111-120 | | Authors: | Verardi, R, Kim, J.-S, Ghirlando, R, Banerjee, A. | | Deposit date: | 2017-06-20 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Structural Basis for Substrate Recognition by the Ankyrin Repeat Domain of Human DHHC17 Palmitoyltransferase.
Structure, 25, 2017
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1LF8
 | | Complex of GGA3-VHS Domain and CI-MPR C-terminal Phosphopeptide | | Descriptor: | ADP-ribosylation factor binding protein GGA3, Cation-independent mannose-6-phosphate receptor | | Authors: | Kato, Y, Misra, S, Puertollano, R, Hurley, J.H, Bonifacino, J.S. | | Deposit date: | 2002-04-10 | | Release date: | 2002-06-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Phosphoregulation of sorting signal-VHS domain interactions by a direct electrostatic mechanism.
Nat.Struct.Biol., 9, 2002
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1LRR
 | | CRYSTAL STRUCTURE OF E. COLI SEQA COMPLEXED WITH HEMIMETHYLATED DNA | | Descriptor: | 5'-D(*AP*GP*TP*CP*GP*(6MA)P*TP*CP*GP*GP*TP*G)-3', 5'-D(*CP*AP*CP*CP*GP*AP*TP*CP*GP*AP*CP*T)-3', SeqA protein | | Authors: | Guarne, A, Zhao, Q, Guirlando, R, Yang, W. | | Deposit date: | 2002-05-15 | | Release date: | 2002-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Insights into negative modulation of E. coli replication initiation from the structure of SeqA-hemimethylated DNA complex
NAT.STRUCT.BIOL., 9, 2002
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6TYR
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4Z9M
 | | Crystal structure of human sarcomeric mitochondrial creatine kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ... | | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-04-10 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human sarcomeric mitochondrial creatine kinase
To Be Published
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1JPL
 | | GGA3 VHS domain complexed with C-terminal peptide from cation-independent mannose 6-phosphate receptor | | Descriptor: | ADP-RIBOSYLATION FACTOR BINDING PROTEIN GGA3, Cation-Independent Mannose 6-phosphate receptor | | Authors: | Misra, S, Puertollano, R, Bonifacino, J.S, Hurley, J.H. | | Deposit date: | 2001-08-02 | | Release date: | 2002-02-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for acidic-cluster-dileucine sorting-signal recognition by VHS domains.
Nature, 415, 2002
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1MN3
 | | Cue domain of yeast Vps9p | | Descriptor: | Vacuolar protein sorting-associated protein VPS9 | | Authors: | Prag, G, Misra, S, Jones, E, Ghirlando, R, Davies, B.A, Horazdovsky, B.F, Hurley, J.H. | | Deposit date: | 2002-09-04 | | Release date: | 2003-06-10 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanism of Ubiquitin Recognition by the CUE Domain of Vps9p
Cell(Cambridge,Mass.), 113, 2003
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1M4V
 | | Crystal structure of SET3, a superantigen-like protein from Staphylococcus aureus | | Descriptor: | SET3, superantigen-like protein | | Authors: | Arcus, V.L, Langley, R, Proft, T, Fraser, J.D, Baker, E.N. | | Deposit date: | 2002-07-05 | | Release date: | 2002-07-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The three-dimensional structure of a superantigen-like protein, SET3, from a pathogenicity island of the Staphylococcus aureus genome
J.Biol.Chem., 277, 2002
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3LUM
 | | Structure of ulilysin mutant M290L | | Descriptor: | ARGININE, CALCIUM ION, GLYCEROL, ... | | Authors: | Tallant, C, Garcia-Castellanos, R, Baumann, U, Gomis-Ruth, F.X. | | Deposit date: | 2010-02-18 | | Release date: | 2010-03-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | On the relevance of the Met-turn methionine in metzincins.
J.Biol.Chem., 285, 2010
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6IAR
 | | Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists | | Descriptor: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor | | Authors: | Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R. | | Deposit date: | 2018-11-27 | | Release date: | 2019-01-23 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists.
J.Med.Chem., 62, 2019
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2IWB
 | | MecR1 unbound extracellular antibiotic-sensor domain. | | Descriptor: | GLYCEROL, METHICILLIN RESISTANCE MECR1 PROTEIN, NICKEL (II) ION, ... | | Authors: | Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X. | | Deposit date: | 2006-06-27 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
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3LUN
 | | Structure of ulilysin mutant M290C | | Descriptor: | ARGININE, CALCIUM ION, GLYCEROL, ... | | Authors: | Tallant, C, Garcia-Castellanos, R, Baumann, U, Gomis-Ruth, F.X. | | Deposit date: | 2010-02-18 | | Release date: | 2010-03-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | On the relevance of the Met-turn methionine in metzincins.
J.Biol.Chem., 285, 2010
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7SO8
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2IWA
 | | Unbound glutaminyl cyclotransferase from Carica papaya. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLUTAMINE CYCLOTRANSFERASE, ... | | Authors: | Guevara, T, Mallorqui-Fernandez, N, Garcia-Castellanos, R, Petersen, G.E, Lauritzen, C, Pedersen, J, Arnau, J, Gomis-Ruth, F.X, Sola, M. | | Deposit date: | 2006-06-27 | | Release date: | 2006-07-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Papaya Glutamine Cyclotransferase Shows a Singular Five-Fold Beta-Propeller Architecture that Suggests a Novel Reaction Mechanism.
Biol.Chem., 387, 2006
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2J4E
 | | THE ITP COMPLEX OF HUMAN INOSINE TRIPHOSPHATASE | | Descriptor: | INOSINE 5'-TRIPHOSPHATE, INOSINE TRIPHOSPHATE PYROPHOSPHATASE, INOSINIC ACID, ... | | Authors: | Stenmark, P, Kursula, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmbergschiavone, L, Hogbom, M, Kotenyova, T, Landry, R, Loppnau, P, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Schuler, H, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P. | | Deposit date: | 2006-08-29 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Human Inosine Triphosphatase: Substrate Binding and Implication of the Inosine Triphosphatase Deficiency Mutation P32T.
J.Biol.Chem., 282, 2007
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2IWD
 | | Oxacilloyl-acylated MecR1 extracellular antibiotic-sensor domain. | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Methicillin resistance mecR1 protein | | Authors: | Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X. | | Deposit date: | 2006-06-27 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
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