4WZ9
 
 | | APN1 from Anopheles gambiae | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, AGAP004809-PA, ALA-ALA-ALA-LYS-ALA, ... | | Authors: | Atkinson, S.C, Armistead, J.S, Mathias, D.K, Sandeu, M.M, Tao, D, Borhani-Dizaji, N, Morlais, I, Dinglasan, R.R, Borg, N.A. | | Deposit date: | 2014-11-19 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The Anopheles-midgut APN1 structure reveals a new malaria transmission-blocking vaccine epitope.
Nat.Struct.Mol.Biol., 22, 2015
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3A5F
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4I7W
 | | Agrobacterium tumefaciens DHDPS with lysine and pyruvate | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, LYSINE | | Authors: | Atkinson, S.C, Dogovski, C, Dobson, R.C.J, Perugini, M.A. | | Deposit date: | 2012-12-01 | | Release date: | 2013-12-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure, function and allostery of the bona fide DHDPS from the plant pathogen Agrobacterium tumefaciens
To be Published
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4I7V
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4I7U
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1U78
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4HNN
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3ZNN
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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3ZNP
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 3-HYDROXY-2H-CHROMEN-2-ONE, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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3ZNO
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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3ZNQ
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 3-PHENETHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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2RCJ
 | | Solution structure of human Immunoglobulin M | | Descriptor: | IgA1 heavy chain, IgA1 light chain, J chain | | Authors: | Perkins, S.J, Nealis, A.S, Sutton, B.J, Feinstein, A. | | Deposit date: | 2007-09-20 | | Release date: | 2008-01-22 | | Last modified: | 2024-02-21 | | Method: | SOLUTION SCATTERING | | Cite: | Solution structure of human and mouse immunoglobulin M by synchrotron X-ray scattering and molecular graphics modelling. A possible mechanism for complement activation.
J.Mol.Biol., 221, 1991
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5NQH
 | | Structure of the human Fe65-PTB2 homodimer | | Descriptor: | Amyloid beta A4 precursor protein-binding family B member 1, GLYCEROL, SULFATE ION | | Authors: | Feilen, L.P, Haubrich, K, Sinning, I, Konietzko, U, Kins, S, Simon, B, Wild, K. | | Deposit date: | 2017-04-20 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fe65-PTB2 Dimerization Mimics Fe65-APP Interaction.
Front Mol Neurosci, 10, 2017
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4JFN
 | | Crystal structure of the N-terminal, growth factor-like domain of the amyloid precursor protein bound to copper | | Descriptor: | Amyloid beta A4 protein, COPPER (II) ION, GLYCEROL | | Authors: | Wild, K, Baumkotter, F, Kins, S. | | Deposit date: | 2013-02-28 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Amyloid precursor protein dimerization and synaptogenic function depend on copper binding to the growth factor-like domain
J.Neurosci., 34, 2014
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1IGA
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1E07
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2W40
 | | Crystal structure of Plasmodium falciparum glycerol kinase with bound glycerol | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GLYCEROL KINASE, ... | | Authors: | Schnick, C, Polley, S.D, Fivelman, Q.L, Ranford-Cartwright, L, Wilkinson, S.R, Brannigan, J.A, Wilkinson, A.J, Baker, D.A. | | Deposit date: | 2008-11-18 | | Release date: | 2008-12-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure and Non-Essential Function of Glycerol Kinase in Plasmodium Falciparum Blood Stages.
Mol.Microbiol., 71, 2009
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2Z75
 | | T. tengcongensis glmS ribozyme bound to glucosamine-6-phosphate | | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, glmS ribozyme RNA, ... | | Authors: | Klein, D.J, Wilkinson, S.R, Been, M.D, Ferre-D'Amare, A.R. | | Deposit date: | 2007-08-15 | | Release date: | 2007-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Requirement of helix P2.2 and nucleotide G1 for positioning the cleavage site and cofactor of the glmS ribozyme
J.Mol.Biol., 373, 2007
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2Z74
 | | T. tengcongensis glmS ribozyme bound to glucose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, glmS ribozyme RNA, ... | | Authors: | Klein, D.J, Wilkinson, S.R, Been, M.D, Ferre-D'Amare, A.R. | | Deposit date: | 2007-08-15 | | Release date: | 2007-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Requirement of helix P2.2 and nucleotide G1 for positioning the cleavage site and cofactor of the glmS ribozyme
J.Mol.Biol., 373, 2007
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2W41
 | | Crystal structure of Plasmodium falciparum glycerol kinase with ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL KINASE, ... | | Authors: | Schnick, C, Polley, S.D, Fivelman, Q.L, Ranford-Cartwright, L, Wilkinson, S.R, Brannigan, J.A, Wilkinson, A.J, Baker, D.A. | | Deposit date: | 2008-11-18 | | Release date: | 2008-12-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure and Non-Essential Function of Glycerol Kinase in Plasmodium Falciparum Blood Stages.
Mol.Microbiol., 71, 2009
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5CKQ
 | | CUB1-EGF-CUB2 domains of rat MASP-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine protease 1, ... | | Authors: | Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J. | | Deposit date: | 2015-07-15 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.704 Å) | | Cite: | Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
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5CIS
 | | The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine peptidase 2 | | Authors: | Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J. | | Deposit date: | 2015-07-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
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5CKM
 | | The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine peptidase 2 | | Authors: | Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J. | | Deposit date: | 2015-07-15 | | Release date: | 2017-01-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
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5CKN
 | | The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+ | | Descriptor: | CALCIUM ION, Mannan-binding lectin serine peptidase 2 | | Authors: | Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J. | | Deposit date: | 2015-07-15 | | Release date: | 2017-01-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
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5G2N
 | | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | | Deposit date: | 2016-04-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946)
Chemmedchem, 11, 2016
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