6HYX
| THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT Y197F-P250C | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-22 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5MLX
| Open loop conformation of PhaZ7 Y105E mutant | Descriptor: | CHLORIDE ION, PHB depolymerase PhaZ7, SODIUM ION | Authors: | Kellici, T, Mavromoustakos, T, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2016-12-08 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase. Proteins, 85, 2017
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6B5E
| Mycobacterium tuberculosis RmlA in complex with dTDP-glucose | Descriptor: | 1,2-ETHANEDIOL, 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, CHLORIDE ION, ... | Authors: | Brown, H.A, Holden, H.M. | Deposit date: | 2017-09-29 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structure of glucose-1-phosphate thymidylyltransferase from Mycobacterium tuberculosis reveals the location of an essential magnesium ion in the RmlA-type enzymes. Protein Sci., 27, 2018
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5FKG
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6V4O
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5FQ6
| Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron | Descriptor: | 3-decanoyloxypropyl decanoate, BT_2261, CALCIUM ION, ... | Authors: | Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B. | Deposit date: | 2015-12-07 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for nutrient acquisition by dominant members of the human gut microbiota. Nature, 541, 2017
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2OCC
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2WM2
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3KQE
| Factor xa in complex with the inhibitor 3-methyl-1-(3-(5- oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'- (pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h- pyrazolo[3,4-c]pyridin-7(4h)-one | Descriptor: | 3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE, SODIUM ION, factor Xa heavy chain, ... | Authors: | Sheriff, S. | Deposit date: | 2009-11-17 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Phenyltriazolinones as potent factor Xa inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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2HEE
| CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K. | Deposit date: | 1997-09-16 | Release date: | 1998-01-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of water molecules in the interior of a protein to the conformational stability. J.Mol.Biol., 274, 1997
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5Z5O
| Structure of Pycnonodysostosis disease related I249T mutant of human cathepsin K | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Biswas, S, Roy, S. | Deposit date: | 2018-01-19 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Not all pycnodysostosis-related mutants of human cathepsin K are inactive - crystal structure and biochemical studies of an active mutant I249T. FEBS J., 285, 2018
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5Z86
| azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 3 days | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | Deposit date: | 2018-01-31 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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5M67
| Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenine and 2'-deoxyadenosine | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, ACETATE ION, ADENINE, ... | Authors: | Manszewski, T, Jaskolski, M. | Deposit date: | 2016-10-24 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystallographic and SAXS studies of S-adenosyl-l-homocysteine hydrolase from Bradyrhizobium elkanii. IUCrJ, 4, 2017
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2HEB
| CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K. | Deposit date: | 1997-09-16 | Release date: | 1998-01-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Contribution of water molecules in the interior of a protein to the conformational stability. J.Mol.Biol., 274, 1997
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5ZCO
| azide-bound cytochrome c oxidase structure determined using the crystals exposed to 2 mM azide solution for 2 days | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | Deposit date: | 2018-02-19 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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2HOH
| RIBONUCLEASE T1 (N9A MUTANT) COMPLEXED WITH 2'GMP | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PHOSPHATE ION, ... | Authors: | Langhorst, U, Loris, R, Denisov, V.P, Doumen, J, Roose, P, Maes, D, Halle, B, Steyaert, J. | Deposit date: | 1998-09-14 | Release date: | 1998-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dissection of the structural and functional role of a conserved hydration site in RNase T1. Protein Sci., 8, 1999
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3KQC
| Factor xa in complex with the inhibitor 6-(2'- (methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h- 1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6- dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one | Descriptor: | 6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE, SODIUM ION, factor Xa heavy chain, ... | Authors: | Sheriff, S. | Deposit date: | 2009-11-17 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Phenyltriazolinones as potent factor Xa inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5LOQ
| Structure of coproheme bound HemQ from Listeria monocytogenes | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ... | Authors: | Puehringer, D, Mlynek, G, Hofbauer, S, Djinovic-Carugo, K, Obinger, C. | Deposit date: | 2016-08-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Hydrogen peroxide-mediated conversion of coproheme to heme b by HemQ-lessons from the first crystal structure and kinetic studies. FEBS J., 283, 2016
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5LRR
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with glutathione | Descriptor: | GLUTATHIONE, HYDROGENPHOSPHATE ION, Listeriolysin positive regulatory factor A, ... | Authors: | Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.171 Å) | Cite: | Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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3K13
| Structure of the pterin-binding domain MeTr of 5-methyltetrahydrofolate-homocysteine methyltransferase from Bacteroides thetaiotaomicron | Descriptor: | 5-methyltetrahydrofolate-homocysteine methyltransferase, GLYCEROL, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ... | Authors: | Cuff, M.E, Li, H, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-09-25 | Release date: | 2009-12-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the pterin-binding domain MeTr of 5-methyltetrahydrofolate-homocysteine methyltransferase from Bacteroides thetaiotaomicron TO BE PUBLISHED
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5OWO
| Human cytoplasmic Dynein N-Terminus dimerization domain at 1.8 Angstrom resolution | Descriptor: | CALCIUM ION, Cytoplasmic dynein 1 heavy chain 1, GLYCEROL, ... | Authors: | Urnavicius, L, Lau, C.K, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P. | Deposit date: | 2017-09-01 | Release date: | 2018-07-11 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Cryo-EM shows how dynactin recruits two dyneins for faster movement. Nature, 554, 2018
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6HZF
| BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II | Descriptor: | BPa0997, SERINE, SODIUM ION | Authors: | Basle, A, Cartmell, A, Labourel, A, Gilbert, H. | Deposit date: | 2018-10-23 | Release date: | 2019-03-20 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional analyses of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II. J.Biol.Chem., 294, 2019
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5Z85
| The structure of azide-bound cytochrome c oxidase determined using the another batch crystals exposed to 20 mM azide solution for 2 days | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | Deposit date: | 2018-01-31 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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2HB6
| Structure of Caenorhabditis elegans leucine aminopeptidase (LAP1) | Descriptor: | GLYCEROL, Leucine aminopeptidase 1, SODIUM ION, ... | Authors: | Patskovsky, Y, Zhan, C, Wengerter, B.C, Ramagopal, U, Milstein, S, Vidal, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-06-13 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Caenorhabditis Elegans Leucine Aminopeptidase To be Published
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3KQD
| Factor xa in complex with the inhibitor 1-(3-(5-oxo-4,5- dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1- ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro- 1h-pyrazolo[3,4-c]pyridin-7(4h)-one | Descriptor: | 1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE, SODIUM ION, factor Xa heavy chain, ... | Authors: | Sheriff, S. | Deposit date: | 2009-11-17 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Phenyltriazolinones as potent factor Xa inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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