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1P6X
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BU of 1p6x by Molmil
Crystal structure of EHV4-TK complexed with Thy and SO4
Descriptor: SULFATE ION, THYMIDINE, Thymidine kinase
Authors:Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
Deposit date:2003-04-30
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
1P75
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BU of 1p75 by Molmil
Crystal structure of EHV4-TK complexed with TP5A
Descriptor: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, Thymidine kinase
Authors:Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
Deposit date:2003-04-30
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
1P7C
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BU of 1p7c by Molmil
Crystal Structure of HSV1-TK complexed with TP5A
Descriptor: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, THYMIDINE, ...
Authors:Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
Deposit date:2003-05-01
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
1P72
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BU of 1p72 by Molmil
Crystal structure of EHV4-TK complexed with Thy and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, THYMIDINE, ...
Authors:Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
Deposit date:2003-04-30
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
1P73
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BU of 1p73 by Molmil
Crystal structure of EHV4-TK complexed with TP4A
Descriptor: P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, SULFATE ION, Thymidine kinase
Authors:Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
Deposit date:2003-04-30
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
7R60
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BU of 7r60 by Molmil
BTK in complex with 18A
Descriptor: 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK
Authors:Gardberg, A.
Deposit date:2021-06-22
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
7R61
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BU of 7r61 by Molmil
BTK in complex with 25A
Descriptor: 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Gardberg, A.
Deposit date:2021-06-22
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
7KXL
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BU of 7kxl by Molmil
BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED
Descriptor: 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Gardberg, A.
Deposit date:2020-12-04
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
7KXM
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BU of 7kxm by Molmil
BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED
Descriptor: 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK
Authors:Gardberg, A.
Deposit date:2020-12-04
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
6DI3
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BU of 6di3 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND
Descriptor: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK
Authors:GARDBERG, A.
Deposit date:2018-05-22
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
6DI9
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BU of 6di9 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR
Descriptor: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:GARDBERG, A.
Deposit date:2018-05-23
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
6DI5
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BU of 6di5 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR
Descriptor: 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Gardberg, A.
Deposit date:2018-05-22
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
3VFI
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BU of 3vfi by Molmil
Crystal Structure of a Metagenomic Thioredoxin
Descriptor: thioredoxin
Authors:Craig, T.K, Gardberg, A, Lorimer, D.D, Burgin Jr, A.B, Segall, A, Rohwer, F.
Deposit date:2012-01-09
Release date:2013-01-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of a Metagenomic Thioredoxin
To be Published
3MEQ
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BU of 3meq by Molmil
Crystal structure of alcohol dehydrogenase from Brucella melitensis
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase, ...
Authors:Arakaki, T.L, Staker, B.L, Gardberg, A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of alcohol dehydrogenase from Brucella melitensis
To be Published
3EYU
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BU of 3eyu by Molmil
PFA1 Fab fragment complexed with Ror2(518-525)
Descriptor: If kappa light chain, PFA1 Fab Heavy Chain, ROR2(518-525) peptide
Authors:Gardberg, A.S, Dealwis, C.G.
Deposit date:2008-10-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
3EYS
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BU of 3eys by Molmil
PFA1 Fab fragment complexed with pyro-Glu3-A-Beta (3-8)
Descriptor: GLYCEROL, If kappa light chain, PFA1 Fab Heavy Chain, ...
Authors:Gardberg, A.S, Dealwis, C.G.
Deposit date:2008-10-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
3RMI
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BU of 3rmi by Molmil
Crystal structure of Chorismate mutase from Bartonella henselae str. Houston-1 in complex with malate
Descriptor: 1,2-ETHANEDIOL, Chorismate mutase protein, D-MALATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-04-20
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Chorismate mutase from Bartonella henselae str. Houston-1 in complex with malate
To be Published
3TSM
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BU of 3tsm by Molmil
Crystal structure of Indole-3-glycerol phosphate synthase from Brucella melitensis
Descriptor: GLYCEROL, Indole-3-glycerol phosphate synthase, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-13
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Indole-3-glycerol phosphate synthase from Brucella melitensis
To be Published
3MBF
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BU of 3mbf by Molmil
Crystal structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi, bound to fructose 1,6-bisphosphate
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-25
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi.
Acta Crystallogr.,Sect.F, 67, 2011
3MMT
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BU of 3mmt by Molmil
Crystal structure of fructose bisphosphate aldolase from Bartonella henselae, bound to fructose bisphosphate
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-04-20
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of fructose bisphosphate aldolase from Bartonella henselae bound to fructose 1,6-bisphosphate.
Acta Crystallogr.,Sect.F, 67, 2011
3M1X
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BU of 3m1x by Molmil
Crystal structure of a putative endoribonuclease L-PSP from Entamoeba histolytica, rhomobohedral form
Descriptor: CHLORIDE ION, CITRATE ANION, putative Endoribonuclease L-PSP
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-05
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a putative endoribonuclease L-PSP from Entamoeba histolytica, rhomobohedral form
To be Published
3MBD
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BU of 3mbd by Molmil
Crystal structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi, bound to phosphate
Descriptor: CHLORIDE ION, Fructose-bisphosphate aldolase, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-25
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi.
Acta Crystallogr.,Sect.F, 67, 2011
3MQW
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BU of 3mqw by Molmil
Crystal structure of a putative endoribonuclease L-PSP from Entamoeba histolytica with higher solvent content and an ordered N-terminal tag
Descriptor: CITRATE ANION, GLYCEROL, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-04-28
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a putative endoribonuclease L-PSP from Entamoeba histolytica
To be published
3MPD
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BU of 3mpd by Molmil
Crystal structure of nucleoside diphosphate kinase from encephalitozoon cuniculi, cubic form, apo
Descriptor: 1,2-ETHANEDIOL, Nucleoside diphosphate kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-04-26
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of nucleoside diphosphate kinase from encephalitozoon cuniculi
To be published
3M4S
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BU of 3m4s by Molmil
Crystal structure of a putative endoribonuclease L-PSP from Entamoeba histolytica, orthorhombic form
Descriptor: CHLORIDE ION, putative Endoribonuclease L-PSP
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-11
Release date:2010-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a putative endoribonuclease L-PSP from Entamoeba histolytica, orthorhombic form
To be Published

 

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