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6TON
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BU of 6ton by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 25b
分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6U3L
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BU of 6u3l by Molmil
Crystal structure of Hemerythrin HHE cation binding domain-containing protein: Rv2633c homolog from Mycobacterium kansasii
分子名称: 1,2-ETHANEDIOL, Hemerythrin HHE cation binding domain protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-22
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a hemerythrin-like protein from Mycobacterium kansasii and homology model of the orthologous Rv2633c protein of M. tuberculosis.
Biochem.J., 477, 2020
4RF2
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BU of 4rf2 by Molmil
Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir
分子名称: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RF4
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BU of 4rf4 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir
分子名称: MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
6TYJ
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BU of 6tyj by Molmil
Crystal structure of zinc-bound Hemerythrin HHE cation binding domain-containing protein (soak): Rv2633c homolog from Mycobacterium kansasii
分子名称: Hemerythrin HHE cation binding domain protein, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-09
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of zinc-bound Hemerythrin HHE cation binding domain-containing protein (soak): Rv2633c homolog from Mycobacterium kansasii
to be published
6V1N
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BU of 6v1n by Molmil
CSP1-E1A-cyc(Dap6E10)
分子名称: Competence-stimulating peptide type 1
著者Yang, Y.
登録日2019-11-20
公開日2020-01-08
最終更新日2020-02-05
実験手法SOLUTION NMR
主引用文献Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TOJ
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BU of 6toj by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 17a
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6VGL
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BU of 6vgl by Molmil
JAK2 JH1 in complex with ruxolitinib
分子名称: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-08
公開日2021-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6TOG
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BU of 6tog by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 5
分子名称: 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOM
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BU of 6tom by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 1
分子名称: 1,2-ETHANEDIOL, 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6VWE
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BU of 6vwe by Molmil
Crystal structure of the D100R multidrug binding transcriptional regulator LmrR in complex with Rhodium Bis-diphosphine Complex
分子名称: Transcriptional regulator, PadR-like family, bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium
著者Zadvornyy, O.A, Laureanti, J.A, Peters, J.W.
登録日2020-02-19
公開日2020-04-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Positive Charge in the Outer Coordination Sphere of an Artificial Enzyme Increases CO2 Hydrogenation
Organometallics, 2020
3DMS
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BU of 3dms by Molmil
1.65A crystal structure of isocitrate dehydrogenase from Burkholderia pseudomallei
分子名称: Isocitrate dehydrogenase [NADP]
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-07-01
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of the substrate specificity of bifunctional isocitrate dehydrogenase kinase/phosphatase.
Biochemistry, 50, 2011
3EJ0
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BU of 3ej0 by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound N-(pyridin-3-ylmethyl) aniline, H32 crystal form
分子名称: Inorganic pyrophosphatase, N-(pyridin-3-ylmethyl)aniline
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-17
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009
9C89
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BU of 9c89 by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Ehrlichia chaffeensis
分子名称: CHLORIDE ION, GLYCEROL, Outer membrane lipoprotein carrier protein LolA, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Ehrlichia chaffeensis
To be published
1A4C
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BU of 1a4c by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS
分子名称: AZURIN, COPPER (II) ION, NITRATE ION, ...
著者Messerschmidt, A, Prade, L.
登録日1998-01-28
公開日1998-04-29
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
1A4B
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BU of 1a4b by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 6.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS
分子名称: AZURIN, COPPER (II) ION, SULFATE ION
著者Messerschmidt, A, Prade, L.
登録日1998-01-28
公開日1998-04-29
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
1A4A
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BU of 1a4a by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 6.5 CRYSTAL FORM, DATA COLLECTED AT 16 DEGREES CELSIUS
分子名称: AZURIN, COPPER (II) ION
著者Messerschmidt, A, Prade, L.
登録日1998-01-28
公開日1998-04-29
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
5II5
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BU of 5ii5 by Molmil
Crystal structure of red abalone VERL repeat 1 at 1.8 A resolution
分子名称: Maltose-binding periplasmic protein,Vitelline envelope sperm lysin receptor, TRIETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5IIA
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BU of 5iia by Molmil
Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.7 A resolution (crystal form I)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Egg-lysin, Vitelline envelope sperm lysin receptor
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5IIB
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BU of 5iib by Molmil
Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.64 A resolution (crystal form II)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Egg-lysin, ...
著者Raj, I, Sadat Al-Hosseini, H, Nishimura, K, De Sanctis, D, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5IIC
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BU of 5iic by Molmil
Crystal structure of red abalone VERL repeat 3 at 2.9 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Vitelline envelope sperm lysin receptor, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5II4
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BU of 5ii4 by Molmil
Crystal structure of red abalone VERL repeat 1 with linker at 2.0 A resolution
分子名称: Maltose-binding periplasmic protein,Vitelline envelope sperm lysin receptor, TRIETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
1VLP
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BU of 1vlp by Molmil
Crystal structure of a putative nicotinate phosphoribosyltransferase (yor209c, npt1) from saccharomyces cerevisiae at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2004-08-06
公開日2004-08-24
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structure of a eukaryotic nicotinic acid phosphoribosyltransferase reveals structural heterogeneity among type II PRTases.
Structure, 13, 2005
1VJO
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BU of 1vjo by Molmil
Crystal structure of Alanine--glyoxylate aminotransferase (ALR1004) from Nostoc sp. at 1.70 A resolution
分子名称: PYRIDOXAL-5'-PHOSPHATE, alanine--glyoxylate aminotransferase
著者Joint Center for Structural Genomics (JCSG)
登録日2004-03-16
公開日2004-03-23
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of an alanine-glyoxylate aminotransferase from Anabaena sp. at 1.70 A resolution reveals a noncovalently linked PLP cofactor
Proteins, 58, 2005
1VQ0
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BU of 1vq0 by Molmil
Crystal structure of 33 kDa chaperonin (Heat shock protein 33 homolog) (HSP33) (TM1394) from Thermotoga maritima at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, 33 kDa chaperonin, CHLORIDE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2004-11-30
公開日2004-12-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Hsp33 chaperone (TM1394) from Thermotoga maritima at 2.20 A resolution.
Proteins, 61, 2005

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