8ANS
 
 | | Crystal structure of D1228V c-MET bound by compound 1. | | Descriptor: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2022-08-05 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
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8TQ0
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1EAC
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1EAB
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1EAD
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6APL
 | | Crystal Structure of human ST6GALNAC2 in complex with CMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2, CYTIDINE-5'-MONOPHOSPHATE | | Authors: | Forouhar, F, Moremen, K.W, Northeast Structural Genomics Consortium (NESG), Tong, L. | | Deposit date: | 2017-08-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Expression system for structural and functional studies of human glycosylation enzymes.
Nat. Chem. Biol., 14, 2018
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3CI0
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5C6F
 | | Crystal structures of ferritin mutants reveal side-on binding to diiron and end-on cleavage of oxygen | | Descriptor: | Bacterial non-heme ferritin, FE (III) ION, IMIDAZOLE | | Authors: | Kim, S, Kim, K.H, Seok, J.H, Park, Y.H, Jung, S.W, Chung, Y.B, Lee, D.B, Lee, J.H, Han, K.R, Cho, A.E, Lee, C, Chung, M.S. | | Deposit date: | 2015-06-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria.
J. Mol. Biol., 428, 2016
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7AX3
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1F3M
 | | CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE KINASE PAK1 | | Descriptor: | IODIDE ION, SERINE/THREONINE-PROTEIN KINASE PAK-ALPHA | | Authors: | Lei, M, Lu, W, Meng, W, Parrini, M.-C, Eck, M.J, Mayer, B.J, Harrison, S.C. | | Deposit date: | 2000-06-05 | | Release date: | 2000-06-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of PAK1 in an autoinhibited conformation reveals a multistage activation switch.
Cell(Cambridge,Mass.), 102, 2000
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8GAC
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8GAD
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8GAB
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3IEZ
 | | Crystal structure of the RasGAP C-terminal (RGC) domain of IQGAP2 | | Descriptor: | Ras GTPase-activating-like protein IQGAP2, UNKNOWN ATOM OR ION | | Authors: | Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-23 | | Release date: | 2009-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the RasGAP C-terminal (RGC) domain
of IQGAP2
To be Published
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3DWO
 | | Crystal structure of a Pseudomonas aeruginosa FadL homologue | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Probable outer membrane protein, SULFATE ION | | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | | Deposit date: | 2008-07-22 | | Release date: | 2008-12-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall.
Nature, 458, 2009
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1BSJ
 | | COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI | | Descriptor: | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K. | | Deposit date: | 1998-08-28 | | Release date: | 2000-04-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the design of antibiotics targeting peptide deformylase.
Biochemistry, 38, 1999
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7AQW
 | | Cryo-EM structure of Arabidopsis thaliana Complex-I (membrane tip) | | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Acyl carrier protein 1, mitochondrial, ... | | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | | Deposit date: | 2020-10-23 | | Release date: | 2021-12-08 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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1C2Q
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3IJR
 | | 2.05 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD+ | | Descriptor: | MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, ... | | Authors: | Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Gordon, E, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-08-04 | | Release date: | 2009-09-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 2.05 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD+
To be Published
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7AY9
 | | Crystal structure of CK2 bound by compound 7 | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-11-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
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7AYA
 | | Crystal structure of CK2 bound by compound 9 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-11-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
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1BUD
 | | ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 5.0 | | Descriptor: | CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION | | Authors: | Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L. | | Deposit date: | 1998-09-03 | | Release date: | 1999-09-07 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus.
J.Mol.Biol., 283, 1998
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7TQ7
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c | | Descriptor: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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4ZUR
 | | Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a hydroxamate inhibitor | | Descriptor: | 7-amino-N-hydroxyheptanamide, AMMONIUM ION, Acetylpolyamine aminohydrolase, ... | | Authors: | Decroos, C, Christianson, D.W. | | Deposit date: | 2015-05-17 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase.
Biochemistry, 54, 2015
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2WF9
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphate, and Beryllium trifluoride, crystal form 2 | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Near Attack Conformers Dominate Beta-Phosphoglucomutase Complexes Where Geometry and Charge Distribution Reflect Those of Substrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
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