1XES
 
 | | Crystal structure of stilbene synthase from Pinus sylvestris | | Descriptor: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase | | Authors: | Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2004-09-12 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of stilbene synthase from Pinus sylvestris
To be Published
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1XET
 | | Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA | | Descriptor: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase, METHYLMALONYL-COENZYME A | | Authors: | Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2004-09-12 | | Release date: | 2006-04-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA
To be Published
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2CK2
 | | Structure of core-swapped mutant of fibronectin | | Descriptor: | ACETYL GROUP, HUMAN FIBRONECTIN | | Authors: | Ng, S.P, Billings, K.S, Ohashi, T, Allen, M.D, Best, R.B, Randles, L.G, Erickson, H.P, Clarke, J. | | Deposit date: | 2006-04-10 | | Release date: | 2007-04-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Designing an Extracellular Matrix Protein with Enhanced Mechanical Stability
Proc.Natl.Acad.Sci.USA, 104, 2007
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4CZS
 | | Discovery of Glycomimetic Ligands via Genetically-encoded Library of Phage displaying Mannose-peptides | | Descriptor: | 2-hydroxyethyl alpha-D-mannopyranoside, CALCIUM ION, Concanavalin V, ... | | Authors: | Ng, S, Lin, E, Tjhung, K.F, Gerlits, O, Sood, A, Kasper, B, Deng, L, Kitov, P.I, Matochko, W.L, Paschal, B.M, Noren, C.J, Klassen, J, Mahal, L.K, Coates, L, Woods, R.J, Derda, R. | | Deposit date: | 2014-04-22 | | Release date: | 2015-04-22 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Genetically-Encoded Fragment-Based Discovery of Glycopeptide Ligands for Carbohydrate-Binding Proteins.
J.Am.Chem.Soc., 137, 2015
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2VD7
 | | Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid | | Descriptor: | JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | Authors: | Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
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2W2I
 | | Crystal structure of the human 2-oxoglutarate oxygenase LOC390245 | | Descriptor: | 2-OXOGLUTARATE OXYGENASE, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Yue, W.W, Ng, S, Shafqat, N, Ugochukwu, E, McDonough, M, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C, Oppermann, U. | | Deposit date: | 2008-10-31 | | Release date: | 2009-01-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
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2IXE
 | | Crystal structure of the ATPase domain of TAP1 with ATP (D645N mutant) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, MAGNESIUM ION, ... | | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | | Deposit date: | 2006-07-07 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter.
Mol.Cell, 24, 2001
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2IXG
 | | Crystal structure of the ATPase domain of TAP1 with ATP (S621A, G622V, D645N mutant) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL | | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | | Deposit date: | 2006-07-08 | | Release date: | 2006-10-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter.
Mol.Cell, 24, 2001
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5XVP
 | | E. fae Cas1-Cas2/prespacer/target ternary complex revealing the fully integrated states | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(P*TP*TP*CP*TP*CP*CP*GP*AP*G)-3'), ... | | Authors: | Xiao, Y, Ng, S, Nam, K.H, Ke, A. | | Deposit date: | 2017-06-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
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5XVN
 | | E. far Cas1-Cas2/prespacer binary complex | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ... | | Authors: | Xiao, Y, Ng, S, Nam, K.H, Ke, A. | | Deposit date: | 2017-06-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
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5U0A
 | | CRISPR RNA-guided surveillance complex | | Descriptor: | CRISPR-associated protein, Cas5e family, Cse1 family, ... | | Authors: | Xiao, Y, Luo, M, Hayes, R.P, Kim, J, Ng, S, Ding, F, Liao, M, Ke, A. | | Deposit date: | 2016-11-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure Basis for Directional R-loop Formation and Substrate Handover Mechanisms in Type I CRISPR-Cas System.
Cell, 170, 2017
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5XVO
 | | E. fae Cas1-Cas2/prespacer/target ternary complex revealing DNA sampling and half-integration states | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ... | | Authors: | Xiao, Y, Ng, S, Nam, K.H, Ke, A. | | Deposit date: | 2017-06-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
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5U07
 | | CRISPR RNA-guided surveillance complex | | Descriptor: | CRISPR-associated protein, Cas5e family, Cse1 family, ... | | Authors: | Xiao, Y, Luo, M, Hayes, R.P, Kim, J, Ng, S, Ding, F, Liao, M, Ke, A. | | Deposit date: | 2016-11-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure Basis for Directional R-loop Formation and Substrate Handover Mechanisms in Type I CRISPR-Cas System.
Cell, 170, 2017
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4IW0
 | | Crystal structure and mechanism of activation of TBK1 | | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Larabi, A, Devos, J.M, Ng, S.-L, Nanao, M.H, Round, A, Maniatis, T, Panne, D. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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2BLE
 | | Structure of human guanosine monophosphate reductase GMPR1 in complex with GMP | | Descriptor: | GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, SODIUM ION | | Authors: | Bunkoczi, G, Haroniti, A, Ng, S, von Delft, F, Oppermann, U, Arrowsmith, C, Sundstrom, M, Edwards, A, Gileadi, O. | | Deposit date: | 2005-03-03 | | Release date: | 2005-03-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
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2BWG
 | | Structure of human guanosine monophosphate reductase GMPR1 in complex with GMP | | Descriptor: | GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION | | Authors: | Bunkoczi, G, Haroniti, A, Ng, S, von Delft, F, Gileadi, O, Oppermann, U, Arrowsmith, C, Edwards, A, Sundstrom, M. | | Deposit date: | 2005-07-13 | | Release date: | 2005-07-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
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2XML
 | | Crystal structure of human JMJD2C catalytic domain | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4C, ... | | Authors: | Yue, W.W, Gileadi, C, Krojer, T, Pike, A.C.W, von Delft, F, Ng, S, Carpenter, L, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2010-07-28 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
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1YB1
 | | Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type XI | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase type XI, Androsterone, CHLORIDE ION, ... | | Authors: | Lukacik, P, Bunkoczi, G, Kavanagh, K, Ng, S, von Delft, F, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2004-12-18 | | Release date: | 2004-12-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type XI.
To be Published
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2XXZ
 | | Crystal structure of the human JMJD3 jumonji domain | | Descriptor: | 1,2-ETHANEDIOL, 8-hydroxyquinoline-5-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | | Authors: | Che, K.H, Yue, W.W, Krojer, T, Muniz, J.R.C, Ng, S.S, Tumber, A, Daniel, M, Burgess-Brown, N, Savitsky, P, Ugochukwu, E, Filippakopoulos, P, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2010-11-12 | | Release date: | 2010-11-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Human Jmjd3 Jumonji Domain
To be Published
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2OPW
 | | Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo) | | Descriptor: | PHYHD1 protein | | Authors: | Zhang, Z, Butler, D, McDonough, M.A, Kavanagh, K.L, Bray, J.E, Ng, S.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-30 | | Release date: | 2007-03-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
To be Published
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1Z6Z
 | | Crystal Structure of Human Sepiapterin Reductase in complex with NADP+ | | Descriptor: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Ugochukwu, E, Kavanagh, K, Ng, S, Arrowsmith, C, Edwards, A, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-03-23 | | Release date: | 2005-04-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Human Sepiapterin Reductase
To be Published
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2IXF
 | | Crystal structure of the ATPase domain of TAP1 with ATP (D645Q, Q678H mutant) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL, ... | | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | | Deposit date: | 2006-07-08 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter.
Mol.Cell, 24, 2001
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2OQ6
 | | Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-31 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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2OQ7
 | | The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-31 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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2OS2
 | | Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys36 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-05 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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