1SFT
 
 | | ALANINE RACEMASE | | Descriptor: | ACETATE ION, ALANINE RACEMASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Shaw, J.P, Petsko, G.A, Ringe, D. | | Deposit date: | 1996-09-20 | | Release date: | 1997-02-12 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of the structure of alanine racemase from Bacillus stearothermophilus at 1.9-A resolution.
Biochemistry, 36, 1997
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1U4R
 | | Crystal Structure of human RANTES mutant 44-AANA-47 | | Descriptor: | SULFATE ION, Small inducible cytokine A5 | | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | | Deposit date: | 2004-07-26 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors.
Structure, 12, 2004
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1U4L
 | | human RANTES complexed to heparin-derived disaccharide I-S | | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Small inducible cytokine A5 | | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | | Deposit date: | 2004-07-26 | | Release date: | 2004-11-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors.
Structure, 12, 2004
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1U4M
 | | human RANTES complexed to heparin-derived disaccharide III-S | | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Small inducible cytokine A5 | | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | | Deposit date: | 2004-07-26 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors.
Structure, 12, 2004
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1U4P
 | | Crystal Structure of human RANTES mutant K45E | | Descriptor: | ACETIC ACID, Small inducible cytokine A5 | | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | | Deposit date: | 2004-07-26 | | Release date: | 2004-11-09 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors.
Structure, 12, 2004
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3FPT
 | | The Crystal Structure of the Complex between Evasin-1 and CCL3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Evasin-1 | | Authors: | Shaw, J.P, Dias, J.M. | | Deposit date: | 2009-01-06 | | Release date: | 2010-01-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of chemokine sequestration by a tick chemokine binding protein: the crystal structure of the complex between Evasin-1 and CCL3
Plos One, 4, 2009
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3FPU
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2CDO
 | | structure of agarase carbohydrate binding module in complex with neoagarohexaose | | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ... | | Authors: | Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2006-01-25 | | Release date: | 2006-02-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
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2CDP
 | | Structure of a CBM6 in complex with neoagarohexaose | | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ... | | Authors: | Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2006-01-26 | | Release date: | 2006-02-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
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7L5P
 | | Crystal structure of the covalently bonded complex of rilzabrutinib with BTK | | Descriptor: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M. | | Deposit date: | 2020-12-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases
To Be Published
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7L5O
 | | Crystal structure of the noncovalently bonded complex of rilzabrutinib with BTK | | Descriptor: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M. | | Deposit date: | 2020-12-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases
To Be Published
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2A5U
 | | Crystal Structure of human PI3Kgamma complexed with AS605240 | | Descriptor: | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform | | Authors: | Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C. | | Deposit date: | 2005-07-01 | | Release date: | 2005-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis
NAT.MED. (N.Y.), 11, 2005
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6I31
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6GT3
 | | Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | Authors: | Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity
J Immunother Cancer, 2020
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6FZ6
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4CWM
 | | High-glycosylation crystal structure of the bifunctional endonuclease (AtBFN2) from Arabidopsis thaliana | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDONUCLEASE 2, ZINC ION, ... | | Authors: | Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J. | | Deposit date: | 2014-04-03 | | Release date: | 2014-07-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
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4CXO
 | | bifunctional endonuclease in complex with ssDNA | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ENDONUCLEASE 2, SULFATE ION, ... | | Authors: | Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J. | | Deposit date: | 2014-04-08 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
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4CXV
 | | Structure of bifunctional endonuclease (AtBFN2) in complex with phosphate. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDONUCLEASE 2, ... | | Authors: | Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J. | | Deposit date: | 2014-04-09 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
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4CXP
 | | Structure of bifunctional endonuclease (AtBFN2) from Arabidopsis thaliana in complex with sulfate | | Descriptor: | ENDONUCLEASE 2, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J. | | Deposit date: | 2014-04-08 | | Release date: | 2014-07-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
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5WP9
 | | Structural Basis of Mitochondrial Receptor Binding and Constriction by Dynamin-Related Protein 1 | | Descriptor: | Dynamin-1-like protein, MAGNESIUM ION, Mitochondrial dynamics protein MID49, ... | | Authors: | Kalia, R, Wang, R.Y.R, Yusuf, A, Thomas, P.V, Agard, D.A, Shaw, J.M, Frost, A. | | Deposit date: | 2017-08-03 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.22 Å) | | Cite: | Structural basis of mitochondrial receptor binding and constriction by DRP1.
Nature, 558, 2018
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1J00
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1IVN
 | | E.coli Thioesterase I/Protease I/Lysophospholiase L1 | | Descriptor: | GLYCEROL, SULFATE ION, Thioesterase I | | Authors: | Lo, Y.-C, Shaw, J.-F, Liaw, Y.-C. | | Deposit date: | 2002-03-27 | | Release date: | 2003-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Escherichia coli Thioesterase I/Protease I/Lysophospholipase L1: Consensus Sequence Blocks Constitute the Catalytic Center of SGNH-hydrolases through a Conserved Hydrogen Bond Network
J.Mol.Biol., 330, 2003
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2WXQ
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS15. | | Descriptor: | 2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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2WXP
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with GDC-0941. | | Descriptor: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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2WXG
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW13. | | Descriptor: | 2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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