2W1C
 
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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3I8R
 | | Crystal structure of the heme oxygenase from Corynebacterium diphtheriae (HmuO) in complex with heme binding ditiothreitol (DTT) | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | | Deposit date: | 2009-07-10 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase.
Inorg.Chem., 49, 2010
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7KJ6
 | | Structure of Legionella Effector LegA15 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ankyrin repeat-containing protein, CHLORIDE ION, ... | | Authors: | Cygler, M, Chung, I.Y.W. | | Deposit date: | 2020-10-26 | | Release date: | 2021-08-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Legionella effector LegA15/AnkH contains an unrecognized cysteine protease-like domain and displays structural similarity to LegA3/AnkD, but differs in host cell localization.
Acta Crystallogr D Struct Biol, 77, 2021
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1RAL
 | | THREE-DIMENSIONAL STRUCTURE OF RAT LIVER 3ALPHA-HYDROXYSTEROID(SLASH)DIHYDRODIOL DEHYDROGENASE: A MEMBER OF THE ALDO-KETO REDUCTASE SUPERFAMILY | | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE | | Authors: | Hoog, S.S, Pawlowski, J.E, Alzari, P.M, Penning, T.M, Lewis, M. | | Deposit date: | 1994-02-04 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Three-dimensional structure of rat liver 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase: a member of the aldo-keto reductase superfamily.
Proc.Natl.Acad.Sci.USA, 91, 1994
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3IB8
 | | Crystal structure of full length Rv0805 in complex with 5'-AMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Podobnik, M, Dermol, U. | | Deposit date: | 2009-07-15 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A mycobacterial cyclic AMP phosphodiesterase that moonlights as a modifier of cell wall permeability
J.Biol.Chem., 284, 2009
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2W1G
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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1RHS
 | | SULFUR-SUBSTITUTED RHODANESE | | Descriptor: | SULFUR-SUBSTITUTED RHODANESE | | Authors: | Zanotti, G, Gliubich, F, Colapietro, M, Barba, L. | | Deposit date: | 1997-07-16 | | Release date: | 1998-01-21 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure of sulfur-substituted rhodanese at 1.36 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
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1RPB
 | | SOLUTION STRUCTURE OF RP 71955, A NEW 21 AMINO ACID TRICYCLIC PEPTIDE ACTIVE AGAINST HIV-1 VIRUS | | Descriptor: | Tricyclic peptide RP 71955 | | Authors: | Frechet, D, Guitton, J.D, Herman, F, Faucher, D, Helynck, G, Monegier Du Sorbier, B, Ridoux, J.P, James-Surcouf, E, Vuilhorgne, M. | | Deposit date: | 1993-08-31 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Solution structure of RP 71955, a new 21 amino acid tricyclic peptide active against HIV-1 virus.
Biochemistry, 33, 1994
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1RY7
 | | Crystal Structure of the 3 Ig form of FGFR3c in complex with FGF1 | | Descriptor: | Fibroblast growth factor receptor 3, Heparin-binding growth factor 1 | | Authors: | Olsen, S.K, Ibrahimi, O.A, Raucci, A, Zhang, F, Eliseenkova, A.V, Yayon, A, Basilico, C, Linhardt, R.J, Schlessinger, J, Mohammadi, M. | | Deposit date: | 2003-12-19 | | Release date: | 2004-02-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Insights into the molecular basis for fibroblast growth factor receptor autoinhibition and ligand-binding promiscuity.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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7JIW
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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1S1Y
 | | Photoactivated chromophore conformation in Photoactive Yellow Protein (E46Q mutant) from 10 microseconds to 3 milliseconds | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Anderson, S, Srajer, V, Pahl, R, Rajagopal, S, Schotte, F, Anfinrud, P, Wulff, M, Moffat, K. | | Deposit date: | 2004-01-07 | | Release date: | 2004-06-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein
Structure, 12, 2004
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4G5O
 | | Structure of LGN GL4/Galphai3(Q147L) complex | | Descriptor: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | | Deposit date: | 2012-07-18 | | Release date: | 2012-09-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
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7JIV
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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3IPX
 | | X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor | | Descriptor: | 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ... | | Authors: | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | | Deposit date: | 2009-08-18 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3IQV
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1S62
 | | Solution structure of the Escherichia coli TolA C-terminal domain | | Descriptor: | TolA protein | | Authors: | Deprez, C, Blanchard, L, Simorre, J.-P, Gavioli, M, Guerlesquin, F, Lazdunski, C, Lloubes, R, Marion, D. | | Deposit date: | 2004-01-22 | | Release date: | 2005-02-15 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the E.coli TolA C-terminal domain reveals conformational changes upon binding to the phage g3p N-terminal domain.
J.Mol.Biol., 346, 2005
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1RY1
 | | Structure of the signal recognition particle interacting with the elongation-arrested ribosome | | Descriptor: | SRP Alu domain, SRP RNA, SRP S domain, ... | | Authors: | Halic, M, Becker, T, Pool, M.R, Spahn, C.M, Grassucci, R.A, Frank, J, Beckmann, R. | | Deposit date: | 2003-12-19 | | Release date: | 2004-04-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Structure of the signal recognition particle interacting with the elongation-arrested ribosome
Nature, 427, 2004
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7JH0
 | | Crystallographic structure of glyceraldehyde-3-phosphate dehydrogenase from Schistosoma mansoni | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Boreiko, S, Silva, M, Iulek, J. | | Deposit date: | 2020-07-20 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure determination and analyses of the GAPDH from the parasite Schistosoma mansoni, the first one from a platyhelminth.
Biochimie, 184, 2021
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1S0P
 | | Structure of the N-Terminal Domain of the Adenylyl Cyclase-Associated Protein (CAP) from Dictyostelium discoideum. | | Descriptor: | Adenylyl cyclase-associated protein, MAGNESIUM ION | | Authors: | Ksiazek, D, Brandstetter, H, Israel, L, Bourenkov, G.P, Katchalova, G, Janssen, K.P, Bartunik, H.D, Noegel, A.A, Schleicher, M, Holak, T.A. | | Deposit date: | 2004-01-01 | | Release date: | 2004-01-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | STRUCTURE OF THE N-TERMINAL DOMAIN OF THE ADENYLYL
CYCLASE-ASSOCIATED PROTEIN (CAP) FROM DICTYOSTELIUM DISCOIDEUM
Structure, 11, 2003
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4GJ9
 | | Crystal structure of renin in complex with GP055321 (compound 4) | | Descriptor: | (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2012-08-09 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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7JK9
 | | Helical filaments of plant light-dependent protochlorophyllide oxidoreductase (LPOR) bound to NADPH, Pchlide, and membrane | | Descriptor: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Protochlorophyllide, ... | | Authors: | Nguyen, H.C, Gabruk, M, Frost, A. | | Deposit date: | 2020-07-28 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Photocatalytic LPOR forms helical lattices that shape membranes for chlorophyll synthesis.
Nat.Plants, 7, 2021
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1S1Z
 | | Photoactivated chromophore conformation in Photoactive Yellow Protein (E46Q mutant) from 10 to 500 nanoseconds | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive Yellow Protein | | Authors: | Anderson, S, Srajer, V, Pahl, R, Rajagopal, S, Schotte, F, Anfinrud, P, Wulff, M, Moffat, K. | | Deposit date: | 2004-01-07 | | Release date: | 2004-06-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein
Structure, 12, 2004
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1S18
 | | Structure and protein design of human apyrase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Dai, J, Liu, J, Deng, Y, Smith, T.M, Lu, M. | | Deposit date: | 2004-01-05 | | Release date: | 2004-03-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and protein design of a human platelet function inhibitor.
Cell(Cambridge,Mass.), 116, 2004
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4GJA
 | | Crystal structure of renin in complex with NVP-AYL747 (compound 5) | | Descriptor: | (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2012-08-09 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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4GJC
 | | Crystal structure of renin in complex with NVP-BCH965 (compound 9) | | Descriptor: | (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2012-08-09 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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