2HMK
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![BU of 2hmk by Molmil](/molmil-images/mine/2hmk) | Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Phenanthrene | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S. | Deposit date: | 2006-07-11 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase. J.Bacteriol., 188, 2006
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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2QGD
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2JM5
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![BU of 2jm5 by Molmil](/molmil-images/mine/2jm5) | Solution Structure of the RGS domain from human RGS18 | Descriptor: | Regulator of G-protein signaling 18 | Authors: | Higman, V.A, Leidert, M, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G, Yang, X, Brockmann, C, Schmieder, P, Diehl, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC) | Deposit date: | 2006-10-11 | Release date: | 2006-10-24 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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2JNU
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![BU of 2jnu by Molmil](/molmil-images/mine/2jnu) | Solution structure of the RGS domain of human RGS14 | Descriptor: | Regulator of G-protein signaling 14 | Authors: | Dowler, E.F, Diehl, A, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G.A, Yang, X, Brockmann, C, Leidert, M, Rehbein, K, Schmieder, P, Kuhne, R, Higman, V.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-02 | Release date: | 2007-02-27 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3D15
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![BU of 3d15 by Molmil](/molmil-images/mine/3d15) | Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314] | Descriptor: | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6 | Authors: | Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J. | Deposit date: | 2008-05-04 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a potent and selective aurora kinase inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
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2QGC
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2LSQ
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![BU of 2lsq by Molmil](/molmil-images/mine/2lsq) | Analog of the fragment 197-221 of beta-1 adrenoreceptor | Descriptor: | ANALOG OF THE FRAGMENT 197-221 OF BETA-1 ADRENORECEPTOR | Authors: | Bushuev, V.N, Zykov, K.A, Bespalova, Z.D, Bibilashvili, R.S, Efremov, E.E, Golitsyn, S.P, Kaznacheeva, L.I, Kuzhetsova, T.V, Levashov, P.S, Masenko, V.P, Mironova, N.A, Molokoedov, F.S, Rutkevich, P.N, Rvacheva, A.V, Sharf, T.V, Sidorova, M.V, Vlasik, T.N, Yanushevskaya, E.V. | Deposit date: | 2012-05-04 | Release date: | 2013-05-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Analog of the fragment 197-221 of 1-adrenoreceptor To be Published
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2LP6
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![BU of 2lp6 by Molmil](/molmil-images/mine/2lp6) | Refined Solution NMR Structure of the 50S ribosomal protein L35Ae from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target (NESG) PfR48 | Descriptor: | 50S ribosomal protein L35Ae | Authors: | Snyder, D.A, Aramini, J.M, Yu, B, Huang, Y.J, Xiao, R, Cort, J.R, Shastry, R, Ma, L, Liu, J, Rost, B, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-02-02 | Release date: | 2012-02-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the ribosomal protein RP-L35Ae from Pyrococcus furiosus. Proteins, 80, 2012
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2SIC
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![BU of 2sic by Molmil](/molmil-images/mine/2sic) | REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN' | Authors: | Mitsui, Y, Takeuchi, Y, Hirono, S, Akagawa, H, Nakamura, K.T. | Deposit date: | 1991-04-01 | Release date: | 1993-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution. J.Mol.Biol., 221, 1991
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2TAA
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![BU of 2taa by Molmil](/molmil-images/mine/2taa) | STRUCTURE AND POSSIBLE CATALYTIC RESIDUES OF TAKA-AMYLASE A | Descriptor: | CALCIUM ION, TAKA-AMYLASE A | Authors: | Kusunoki, M, Matsuura, Y, Tanaka, N, Kakudo, M. | Deposit date: | 1982-10-18 | Release date: | 1982-10-21 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and possible catalytic residues of Taka-amylase A J.Biochem.(Tokyo), 95, 1984
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4HJS
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1AK9
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![BU of 1ak9 by Molmil](/molmil-images/mine/1ak9) | SUBTILISIN MUTANT 8321 | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ... | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | Deposit date: | 1997-05-30 | Release date: | 1997-11-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding. Biochemistry, 28, 1989
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173L
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![BU of 173l by Molmil](/molmil-images/mine/173l) | PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME | Descriptor: | BETA-MERCAPTOETHANOL, T4 LYSOZYME | Authors: | Xiong, X.-P, Zhang, X.-J, Sun, D, Matthews, B.W. | Deposit date: | 1995-03-24 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme. J.Mol.Biol., 250, 1995
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177L
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4HIQ
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![BU of 4hiq by Molmil](/molmil-images/mine/4hiq) | The Structure of V122I Mutant Transthyretin in Complex with AG10 | Descriptor: | 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin | Authors: | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | Deposit date: | 2012-10-11 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013
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1SK7
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![BU of 1sk7 by Molmil](/molmil-images/mine/1sk7) | Structural Basis for Novel Delta-Regioselective Heme Oxygenation in the Opportunistic Pathogen Pseudomonas aeruginosa | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, hypothetical protein pa-HO | Authors: | Friedman, J, Lad, L, Li, H, Wilks, A, Poulos, T.L. | Deposit date: | 2004-03-04 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for novel delta-regioselective heme oxygenation in the opportunistic pathogen Pseudomonas aeruginosa Biochemistry, 43, 2004
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1A2Q
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![BU of 1a2q by Molmil](/molmil-images/mine/1a2q) | SUBTILISIN BPN' MUTANT 7186 | Descriptor: | ACETONE, CALCIUM ION, SUBTILISIN BPN' | Authors: | Gilliland, G.L, Whitlow, M, Howard, A.J. | Deposit date: | 1998-01-08 | Release date: | 1998-04-29 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding. Biochemistry, 28, 1989
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2SNI
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4HIS
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![BU of 4his by Molmil](/molmil-images/mine/4his) | The Structure of V122I Mutant Transthyretin in Complex with Tafamidis | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | Authors: | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | Deposit date: | 2012-10-11 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HJU
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2SBT
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![BU of 2sbt by Molmil](/molmil-images/mine/2sbt) | A COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF SUBTILISIN BPN AND SUBTILISIN NOVO | Descriptor: | ACETONE, SUBTILISIN NOVO | Authors: | Drenth, J, Hol, W.G.J, Jansonius, J.N, Koekoek, R. | Deposit date: | 1976-09-07 | Release date: | 1976-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A comparison of the three-dimensional structures of subtilisin BPN' and subtilisin novo. Cold Spring Harbor Symp.Quant.Biol., 36, 1972
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2ST1
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1TW7
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![BU of 1tw7 by Molmil](/molmil-images/mine/1tw7) | Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target | Descriptor: | SODIUM ION, protease | Authors: | Martin, P, Vickrey, J.F, Proteasa, G, Jimenez, Y.L, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | Deposit date: | 2004-06-30 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target Structure, 13, 2005
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