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2W2L
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BU of 2w2l by Molmil
Crystal structure of the holo forms of Rhodotorula graminis D- mandelate dehydrogenase at 2.5A.
Descriptor: D-MANDELATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Vachieri, S.G, Cole, A.R, Bagneris, C, Baker, D.P, Fewson, C.A, Basak, A.K.
Deposit date:2008-11-02
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Apo and Holo Forms of Rhodotorula Graminis D(-)-Mandelate Dehydrogenase
To be Published
2W2K
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BU of 2w2k by Molmil
Crystal structure of the apo forms of Rhodotorula graminis D- mandelate dehydrogenase at 1.8A.
Descriptor: D-MANDELATE DEHYDROGENASE
Authors:Vachieri, S.G, Cole, A.R, Bagneris, C, Baker, D.P, Fewson, C.A, Basak, A.K.
Deposit date:2008-11-02
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Apo and Holo Forms of Rhodotorula Graminis D(-)-Mandelate Dehydrogenase
To be Published
1TU0
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BU of 1tu0 by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ...
Authors:Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
Deposit date:2004-06-23
Release date:2004-07-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
1TTH
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BU of 1tth by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant Glu50Ala Complexed with N-(Phosphonacetyl-L-Aspartate) (PALA)
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
Authors:Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
Deposit date:2004-06-22
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
1TUG
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BU of 1tug by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide, Malonate, and Cytidine-5-Prime-Triphosphate (CTP)
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
Deposit date:2004-06-24
Release date:2004-07-20
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
3GEN
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BU of 3gen by Molmil
The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a pyrrolopyrimidine-containing compound
Descriptor: 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Tyrosine-protein kinase BTK
Authors:Marcotte, D.J, Liu, Y.T, Arduini, R.M, Hession, C.A, Miatkowski, K, Wildes, C.P, Cullen, P.F, Hopkins, B, Mertsching, E, Jenkins, T.J, Romanowski, M.J, Baker, D.P, Silvian, L.F.
Deposit date:2009-02-25
Release date:2010-01-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases.
Protein Sci., 19, 2010
3K54
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BU of 3k54 by Molmil
Structures of human Bruton's tyrosine kinase in active and inactive conformations suggests a mechanism of activation for TEC family kinases.
Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK
Authors:Marcotte, D.J, Liu, Y.-T, Arduini, R.M, Hession, C.A, Miatkowski, K, Wildes, C.P, Cullen, P.F, Hopkins, B.T, Mertsching, E, Jenkins, T.J, Romanowski, M.J, Baker, D.P, Silvian, L.F.
Deposit date:2009-10-06
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases.
Protein Sci., 19, 2010
8FLG
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BU of 8flg by Molmil
Bruton's tyrosine kinase in complex with an orthosteric inhibitor
Descriptor: DIMETHYL SULFOXIDE, N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide, Tyrosine-protein kinase BTK
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2022-12-21
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
8FLH
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BU of 8flh by Molmil
Bruton's tyrosine kinase in complex with an orthosteric inhibitor
Descriptor: 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2022-12-21
Release date:2023-03-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
8FLV
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BU of 8flv by Molmil
Bruton's tyrosine kinase in complex with compound 34
Descriptor: 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2022-12-22
Release date:2023-04-05
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
6AR4
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BU of 6ar4 by Molmil
Crystal structure of PICK1 in complex with the small molecule inhibitor 1o
Descriptor: N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine, PRKCA-binding protein
Authors:Marcotte, D.
Deposit date:2017-08-21
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction.
Sci Rep, 8, 2018
6BJO
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BU of 6bjo by Molmil
PICK1 PDZ domain in complex with the small molecule inhibitor BIO124.
Descriptor: (2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid, PRKCA-binding protein
Authors:Marcotte, D.J.
Deposit date:2017-11-06
Release date:2018-01-10
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Lock and chop: A novel method for the generation of a PICK1 PDZ domain and piperidine-based inhibitor co-crystal structure.
Protein Sci., 27, 2018
6BJN
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BU of 6bjn by Molmil
PICK1 PDZ domain in complex with the class I PDZ binding motif QSAV
Descriptor: PRKCA-binding protein
Authors:Marcotte, D.J.
Deposit date:2017-11-06
Release date:2018-01-10
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Lock and chop: A novel method for the generation of a PICK1 PDZ domain and piperidine-based inhibitor co-crystal structure.
Protein Sci., 27, 2018
2O8Y
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BU of 2o8y by Molmil
Apo IRAK4 Kinase Domain
Descriptor: Interleukin-1 receptor-associated kinase 4
Authors:Boriack-Sjodin, P.A, Mol, C.
Deposit date:2006-12-12
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the apo and inhibited IRAK4 kinase domain
To be Published

217705

PDB entries from 2024-03-27

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