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PDB: 166 results

7Q6U
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Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6)
Descriptor: (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Patel, S.J, Winter-Holt, J.J.
Deposit date:2021-11-09
Release date:2022-01-19
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7Q6T
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Crystal structure of the bromodomain of ATAD2 with AZ13824374
Descriptor: (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Patel, S.J, Winter-Holt, J.J.
Deposit date:2021-11-09
Release date:2022-01-19
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7Q6V
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Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14)
Descriptor: (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Patel, S.J, Winter-Holt, J.J.
Deposit date:2021-11-09
Release date:2022-01-19
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7Q6W
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Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22)
Descriptor: (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Patel, S.J, Winter-Holt, J.J.
Deposit date:2021-11-09
Release date:2022-01-19
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
7D6W
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Crystal structure of Phycocyanin from Synechococcus sp. R42DM
Descriptor: PHYCOCYANOBILIN, Phycocyanin alpha subunit, Phycocyanin beta subunit
Authors:Patel, S.N, Sonani, R.R, Chaubey, M.G, Singh, N.K, Kumar, V, Madamwar, D.
Deposit date:2020-10-02
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Synechococcus phycocyanin: implications of light-harvesting and antioxidant properties.
3 Biotech, 13, 2023
1K9Z
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The PAPase Hal2p complexed with zinc ions
Descriptor: BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ZINC ION
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hal2p: Ion selectivity and implications on inhibition mechanism
To be Published
1K9Y
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The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ...
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
1KA1
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The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CALCIUM ION, ...
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
1KA0
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The PAPase Hal2p complexed with a sodium ion and the reaction product AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Halotolerance protein HAL2, SODIUM ION
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hal2p: Ion selectivity and implications on inhibition mechanism
To be Published
1JP4
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Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities
Descriptor: 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ...
Authors:Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L.
Deposit date:2001-08-01
Release date:2001-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy.
J.Mol.Biol., 315, 2002
1W51
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BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor
Descriptor: 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE, BETA-SECRETASE 1, IODIDE ION
Authors:Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J.
Deposit date:2004-08-04
Release date:2004-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343, 2004
1W50
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Apo Structure of BACE (Beta Secretase)
Descriptor: BETA-SECRETASE 1, IODIDE ION
Authors:Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J.
Deposit date:2004-08-04
Release date:2004-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343, 2004
1RH7
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Crystal Structure of Resistin-like beta
Descriptor: HEXAETHYLENE GLYCOL, PLATINUM (II) ION, Resistin-like beta
Authors:Patel, S.D, Rajala, M.W, Scherer, P.E, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-11-13
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Disulfide-dependent multimeric assembly of resistin family hormones
Science, 304, 2004
1RFX
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Crystal Structure of resisitin
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Patel, S.D, Rajala, M.W, Scherer, P.E, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-11-10
Release date:2004-06-08
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Disulfide-dependent multimeric assembly of resistin family hormones
Science, 304, 2004
7F86
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Crystal structure of Phycoerythrin from Halomicronema Sp. R31DM
Descriptor: PHYCOERYTHROBILIN, Phycoerythrin alpha subunit, Phycoerythrin beta subunit
Authors:Patel, S.N, Gupta, G.D, Sonani, R.R, Singh, N.K, Kumar, V, Madamwar, D.
Deposit date:2021-07-01
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure analysis of phycoerythrin from marine cyanobacterium Halomicronema .
J.Biomol.Struct.Dyn., 41, 2023
1RGX
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Crystal Structure of resisitin
Descriptor: Resistin
Authors:Patel, S.D, Rajala, M.W, Scherer, P.E, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-11-13
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Disulfide-dependent multimeric assembly of resistin family hormones
Science, 304, 2004
1ZVN
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BU of 1zvn by Molmil
Crystal structure of chick MN-cadherin EC1
Descriptor: Cadherin 1
Authors:Patel, S.D, Ciatto, C, Chen, C.P, Bahna, F, Schieren, I, Rajebhosale, M, Jessell, T.M, Honig, B, Shapiro, L, Price, S.R.
Deposit date:2005-06-02
Release date:2006-04-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Type II cadherin ectodomain structures: implications for classical cadherin specificity.
Cell(Cambridge,Mass.), 124, 2006
1ZXK
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Crystal Structure of Cadherin8 EC1 domain
Descriptor: Cadherin-8
Authors:Patel, S.D, Ciatto, C, Chen, C.P, Bahna, F, Arkus, N, Schieren, I, Rajebhosale, M, Jessell, T.M, Honig, B, Price, S.R, Shapiro, L.
Deposit date:2005-06-08
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Type II cadherin ectodomain structures: implications for classical cadherin specificity.
Cell(Cambridge,Mass.), 124, 2006
2A4E
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BU of 2a4e by Molmil
Crystal structure of mouse cadherin-11 EC1-2
Descriptor: CALCIUM ION, Cadherin-11
Authors:Patel, S.D, Ciatto, C, Chen, C.P, Bahna, F, Arkus, N, Rajebhosale, M, Jessell, T.M, Honig, B, Price, S.R, Shapiro, L.
Deposit date:2005-06-28
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Type II cadherin ectodomain structures: implications for classical cadherin specificity.
Cell(Cambridge,Mass.), 124, 2006
2A4C
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Crystal structure of mouse cadherin-11 EC1
Descriptor: Cadherin-11
Authors:Patel, S.D, Ciatto, C, Chen, C.P, Bahna, F, Schieren, I, Rajebhosale, M, Jessell, T.M, Honig, B, Price, S.R, Shapiro, L.
Deposit date:2005-06-28
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Type II cadherin ectodomain structures: implications for classical cadherin specificity.
Cell(Cambridge,Mass.), 124, 2006
2A62
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Crystal structure of mouse cadherin-8 EC1-3
Descriptor: CALCIUM ION, Cadherin-8
Authors:Patel, S.D, Ciatto, C, Chen, C.P, Bahna, F, Arkus, N, Schieren, I, Jessell, T.M, Honig, B, Price, S.R, Shapiro, L.
Deposit date:2005-07-01
Release date:2006-04-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Type II cadherin ectodomain structures: implications for classical cadherin specificity.
Cell(Cambridge,Mass.), 124, 2006
3E0U
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BU of 3e0u by Molmil
Crystal structure of T. cruzi GPX1
Descriptor: AMMONIUM ION, GLYCEROL, Glutathione peroxidase
Authors:Patel, S.H, Hussain, S, Harris, R, Driscoll, P, Djordjevic, S.
Deposit date:2008-08-01
Release date:2009-08-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the catalytic mechanism of Trypanosoma cruzi GPXI (glutathione peroxidase-like enzyme I).
Biochem.J., 425, 2010
1R39
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BU of 1r39 by Molmil
THE STRUCTURE OF P38ALPHA
Descriptor: Mitogen-activated protein kinase 14, SULFATE ION
Authors:Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G.
Deposit date:2003-10-01
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering.
Biochim.Biophys.Acta, 1696, 2004
1R3C
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BU of 1r3c by Molmil
THE STRUCTURE OF P38ALPHA C162S MUTANT
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 14
Authors:Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G.
Deposit date:2003-10-01
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering.
Biochim.Biophys.Acta, 1696, 2004
2OHR
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BU of 2ohr by Molmil
X-ray crystal structure of beta secretase complexed with compound 6a
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007

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