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3IKE
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BU of 3ike by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3IKF
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BU of 3ikf by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3IUJ
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BU of 3iuj by Molmil
apPEP_WT2 opened state
Descriptor: Prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUN
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BU of 3iun by Molmil
apPEP_D622N opened state
Descriptor: GLYCEROL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IEQ
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BU of 3ieq by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-07-23
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3IUM
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BU of 3ium by Molmil
apPEP_WTX opened state
Descriptor: GLYCEROL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IXC
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BU of 3ixc by Molmil
Crystal structure of hexapeptide transferase family protein from Anaplasma phagocytophilum
Descriptor: Hexapeptide transferase family protein, MAGNESIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-03
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of hexapeptide transferase family protein from Anaplasma phagocytophilum
To be Published
3K2X
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BU of 3k2x by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with 5'-iodo-cytosine
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-iodocytidine, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-30
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3JVH
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BU of 3jvh by Molmil
Crystal structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 8395
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-16
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
6BKW
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BU of 6bkw by Molmil
BTK complex with compound 12
Descriptor: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-09
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BIK
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BU of 6bik by Molmil
BTK complex with compound 7
Descriptor: 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, GLYCEROL, SULFATE ION, ...
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-02
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BKH
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BU of 6bkh by Molmil
BTK complex with compound 11
Descriptor: N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-08
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BKE
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BU of 6bke by Molmil
BTK complex with compound 10
Descriptor: N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X.
Deposit date:2017-11-08
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BQA
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BU of 6bqa by Molmil
BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
Descriptor: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Bromodomain-containing protein 9
Authors:Murray, J.M, Tang, Y.
Deposit date:2017-11-27
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.031 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BLN
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BU of 6bln by Molmil
BTK complex with compound 13
Descriptor: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
Authors:Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:2017-11-10
Release date:2018-11-07
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BQD
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BU of 6bqd by Molmil
TAF1-BD2 bromodomain in complex with (E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
Descriptor: 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1
Authors:Murray, J.M, Tang, Y.
Deposit date:2017-11-27
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.136 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6C87
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BU of 6c87 by Molmil
Crystal structure of rab gdp dissociation inhibitor alpha from Naegleria fowleri
Descriptor: Rab GDP dissociation inhibitor alpha, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-01-24
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of rab gdp dissociation inhibitor alpha from Naegleria fowleri
TO BE PUBLISHED
6CFP
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BU of 6cfp by Molmil
CRYSTAL STRUCTURE OF POLYMERASE ACID PROTEIN (PA) FROM INFLUENZA A VIRUS, WILSON-SMITH/1933 (H1N1) BOUND TO FRAGMENT HIT BSI-70565 1-{1-[4-FLUOROPHENYL)METHYL]-2-METHYL-1H-IMIDAZOL-4-YL}ETHAN-1-ONE
Descriptor: 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one, DIMETHYL SULFOXIDE, Ubiquitin-like protein SMT3,Polymerase acidic protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-02-15
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:CRYSTAL STRUCTURE OF POLYMERASE ACID PROTEIN (PA) FROM INFLUENZA A VIRUS, WILSON-SMITH/1933 (H1N1) BOUND TO FRAGMENT HIT BSI-70565 1-{1-[4-FLUOROPHENYL)METHYL]-2-METHYL-1H-IMIDAZOL-4-YL}ETHAN-1-ONE
To Be Published
7N4D
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BU of 7n4d by Molmil
Translation initiation factor eif-5a family protein from Naegleria fowleri ATCC 30863
Descriptor: Eukaryotic translation initiation factor 5A
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-03
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Translation initiation factor eif-5a family protein from Naegleria fowleri ATCC 30863
to be published
6EP9
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BU of 6ep9 by Molmil
Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
Descriptor: N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2017-10-11
Release date:2018-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019
6XK2
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BU of 6xk2 by Molmil
Crystal structure of Ribokinase from Cryptococcus neoformans var. grubii serotype A in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Ribokinase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-06-25
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Ribokinase from Cryptococcus neoformans var. grubii serotype A in complex with ADP
to be published
6I9J
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BU of 6i9j by Molmil
Human transforming growth factor beta2 in a tetragonal crystal form
Descriptor: Transforming growth factor beta-2 proprotein
Authors:Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T.
Deposit date:2018-11-23
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation.
Sci Rep, 9, 2019
3EOM
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BU of 3eom by Molmil
2.4 A crystal structure of native glutaryl-coa dehydrogenase from Burkholderia pseudomallei
Descriptor: Glutaryl-CoA dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-28
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
3D6B
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BU of 3d6b by Molmil
2.2 A crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei
Descriptor: Glutaryl-CoA dehydrogenase, methyl thiophene-2-carboxylate
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-05-19
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
3F0D
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BU of 3f0d by Molmil
High resolution crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphatase synthase from Burkholderia pseudomallei
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-24
Release date:2008-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011

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